data_2jr2_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 2jr2 _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 ' 8' ' ' SER . . . . . 0.505 ' O ' HG21 ' A' ' 12' ' ' VAL . 2.6 p . . . . . 0 N--CA 1.45 -0.456 0 CA-C-O 120.503 0.192 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.97 -36.01 74.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.767 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -52.24 -48.98 64.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.259 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.497 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.5 ttt180 -66.98 -40.17 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.24 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 8' ' ' SER . 78.0 t -54.96 -50.53 61.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.742 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.92 -39.16 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.673 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -64.65 -37.55 87.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.01 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 11' ' ' ARG . 95.8 mt -65.73 -46.13 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.149 176.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.482 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 70.9 mt -59.2 -41.82 85.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.048 0.451 . . . . 0.0 109.915 176.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -57.47 -49.13 77.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.864 177.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.5 -38.46 91.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.563 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.77 -41.92 92.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' O ' HG22 ' A' ' 24' ' ' VAL . 95.8 mt -63.4 -43.92 96.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.208 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.51 -40.46 75.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.732 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.564 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 73.6 t -58.64 -53.29 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.513 175.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.09 -39.13 91.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.483 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 20' ' ' LEU . 99.5 t -68.07 -41.84 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.556 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 14.6 pttm -70.84 -19.61 62.63 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.79 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 57.8 mm-40 -88.88 -11.92 43.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.313 176.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 49.84 64.25 1.85 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.444 -170.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.449 HG11 ' HB2' ' A' ' 26' ' ' GLU . 34.2 m -80.95 151.14 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.663 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.538 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 31.1 p -97.86 167.62 11.41 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.246 173.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 10.0 Cg_endo -53.85 -44.21 51.25 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.112 1.875 . . . . 0.0 111.69 175.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.31 -54.34 46.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.422 0.629 . . . . 0.0 110.014 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.35 -41.94 88.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.192 -175.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.16 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.942 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.09 -39.87 95.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.7 ttp -64.3 -43.99 93.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.353 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.0 m -70.42 -46.42 63.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.602 0.239 . . . . 0.0 111.221 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' O ' HG22 ' A' ' 41' ' ' VAL . 89.6 mt -62.51 -38.26 89.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.065 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.95 -46.05 91.45 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.508 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -69.62 -35.71 75.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.78 0.324 . . . . 0.0 110.639 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -62.83 -48.41 79.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.42 177.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 37' ' ' LEU . 98.8 t -61.91 -43.15 97.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.726 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -56.52 -41.42 76.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.974 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.54 -32.63 72.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.884 0.374 . . . . 0.0 110.663 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 40' ' ' ALA . 46.2 mm -68.93 -44.4 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.073 0.463 . . . . 0.0 110.247 177.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 41' ' ' VAL . 59.1 mt -68.55 -20.91 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.479 0.657 . . . . 0.0 110.344 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.603 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -74.89 -10.66 59.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.91 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -93.89 -6.28 46.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.15 0.5 . . . . 0.0 110.004 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.0 t -96.91 127.48 38.93 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.187 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -52.46 136.33 56.21 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.983 2.455 . . . . 0.0 112.901 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.752 ' HG3' HH21 ' A' ' 53' ' ' ARG . 7.9 mt-10 -53.0 -21.87 4.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.2 t -65.69 -19.71 66.01 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.681 0.276 . . . . 0.0 111.399 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -139.69 11.31 2.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 111.075 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.752 HH21 ' HG3' ' A' ' 50' ' ' GLU . 12.9 ttm180 -70.39 -37.74 74.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.124 -173.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.4 t -75.52 -28.31 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.251 0.548 . . . . 0.0 109.857 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.78 -45.6 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.849 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.4 m -69.06 -38.16 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.744 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.5 p -71.03 -31.68 45.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.779 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -72.14 -43.09 65.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.697 0.284 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -67.28 -36.29 81.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.729 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.449 ' CE2' HG11 ' A' ' 41' ' ' VAL . 81.5 t80 -58.12 -56.09 26.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.287 0.565 . . . . 0.0 110.064 174.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.541 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 22.7 p -63.83 -38.25 90.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.447 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.98 -49.06 79.16 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.61 76.37 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.324 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.423 ' O ' HG21 ' A' ' 68' ' ' VAL . 21.3 mt -58.28 -58.07 10.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 176.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -64.26 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.094 -177.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -60.93 -51.23 70.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.862 0.363 . . . . 0.0 110.587 173.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 m -63.02 -39.65 95.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.321 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 64' ' ' LEU . 71.2 t -61.39 -40.75 87.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.359 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 C--N 1.328 -0.358 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.371 -179.388 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.497 ' O ' HG23 ' B' ' 12' ' ' VAL . 6.5 m . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -61.59 -37.59 84.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.242 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.427 ' CD ' ' H ' ' B' ' 10' ' ' GLU . 1.8 mp0 -55.93 -50.99 69.2 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.438 ' O ' HG13 ' B' ' 15' ' ' ILE . 21.4 ttt180 -59.09 -43.38 91.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.893 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 8' ' ' SER . 88.5 t -57.79 -54.1 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.152 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.511 ' HA ' HD13 ' B' ' 16' ' ' ILE . 47.7 mt-10 -70.09 -26.53 64.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.553 -177.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -67.31 -44.56 78.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 110.406 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.438 HG13 ' O ' ' B' ' 11' ' ' ARG . 80.1 mt -61.44 -40.27 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.218 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.511 HD13 ' HA ' ' B' ' 13' ' ' GLU . 67.0 mt -57.95 -43.88 85.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.014 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.67 -46.34 79.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.097 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.14 -32.8 74.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.969 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.05 -43.8 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.13 0.49 . . . . 0.0 110.197 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 96.8 mt -64.03 -33.81 76.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.511 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.578 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 2.6 m-20 -58.41 -45.68 87.93 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.327 175.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 49.1 t -56.55 -44.69 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.229 0.537 . . . . 0.0 110.433 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.476 HD22 HG22 ' B' ' 28' ' ' VAL . 86.1 mt -67.92 -33.92 75.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.555 -177.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' B' ' 21' ' ' ASP . 9.2 p -83.62 -25.41 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' B' ' 21' ' ' ASP . 96.3 mttt -62.38 -34.85 77.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.972 0.415 . . . . 0.0 110.346 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -98.45 -7.91 27.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.887 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 50.5 49.21 21.19 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.485 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.476 HG22 HD22 ' B' ' 23' ' ' LEU . 21.5 m -64.2 151.93 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.703 -175.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 82.7 p -81.58 159.6 66.41 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.716 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.6 -45.61 36.82 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.599 2.2 . . . . 0.0 112.228 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.57 -45.06 95.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 tp -66.06 -45.49 81.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.714 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.34 80.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.072 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.64 -40.97 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.451 ' HE2' HG11 ' A' ' 12' ' ' VAL . 49.2 ttp -67.42 -44.07 79.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.106 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 91.1 m -67.13 -46.89 72.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.133 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.564 ' O ' HG22 ' B' ' 41' ' ' VAL . 96.0 mt -64.29 -40.53 96.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.779 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.67 -41.3 93.67 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.748 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -69.97 -37.01 75.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.734 0.302 . . . . 0.0 110.636 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.33 94.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.611 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.564 HG22 ' O ' ' B' ' 37' ' ' LEU . 63.0 t -60.94 -48.97 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.431 177.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 38.0 m -58.56 -40.16 82.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.323 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 48.2 t-20 -58.21 -44.63 88.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 110.184 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mm -67.75 -42.26 86.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.5 HD12 ' HB ' ' B' ' 57' ' ' VAL . 70.2 mt -65.72 -29.53 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.019 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.54 -22.34 63.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.047 0.451 . . . . 0.0 110.607 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.9 mt-30 -86.38 -5.95 59.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.283 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 28.7 t -94.14 135.65 24.35 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.97 140.51 58.89 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.102 2.534 . . . . 0.0 112.499 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.459 ' HA ' ' CB ' ' B' ' 53' ' ' ARG . 42.8 tt0 -58.32 -31.5 67.6 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -171.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 43.3 t -53.45 -33.34 53.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 0.0 111.183 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.482 ' HZ2' ' HB3' ' B' ' 52' ' ' LYS . 0.4 OUTLIER -120.84 3.11 10.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.775 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.459 ' CB ' ' HA ' ' B' ' 50' ' ' GLU . 41.8 ttm180 -64.1 -41.11 97.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.033 -176.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -73.83 -30.59 28.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.287 0.565 . . . . 0.0 110.215 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.65 -44.85 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.233 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.88 -38.3 81.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.5 ' HB ' HD12 ' B' ' 45' ' ' ILE . 7.7 p -71.15 -38.03 69.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.839 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.01 -47.45 74.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.279 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.88 -36.77 82.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.391 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.9 -53.92 52.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.978 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.541 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 41.1 p -64.5 -39.22 93.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.503 -178.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 87.6 tttt -61.35 -52.04 66.29 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.071 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.39 -32.73 74.29 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.222 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.451 ' O ' HG21 ' B' ' 68' ' ' VAL . 0.7 OUTLIER -57.24 -47.26 81.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.598 176.669 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -65.14 -34.95 79.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 23.0 mt-30 -62.15 -46.51 88.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 7.2 p -70.83 -35.41 72.45 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -175.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.451 HG21 ' O ' ' B' ' 64' ' ' LEU . 82.9 t . . . . . 0 C--O 1.235 0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 111.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -56.83 -32.63 65.94 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 123.328 0.393 . . . . 0.0 110.165 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.29 -40.61 97.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.481 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 15' ' ' ILE . 67.1 ttt180 -79.34 -39.07 33.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.712 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 16' ' ' ILE . 84.0 t -60.66 -41.0 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -55.18 -46.28 75.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.243 173.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -60.03 -45.91 91.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.583 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 11' ' ' ARG . 68.4 mt -61.83 -46.78 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.662 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 12' ' ' VAL . 75.9 mt -59.16 -46.78 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.391 . . . . 0.0 110.316 176.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -64.37 -37.14 86.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.827 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 22' ' ' VAL . 16.1 t0 -70.53 -37.71 74.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.984 0.421 . . . . 0.0 110.042 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.77 -46.49 81.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.311 174.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 97.8 mt -64.29 -33.17 75.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.466 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.66 -34.91 78.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.408 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 18' ' ' ASP . 87.7 t -66.04 -42.68 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.121 0.486 . . . . 0.0 110.18 174.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.44 -33.4 75.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.663 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.7 t -80.8 -32.26 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.014 0.435 . . . . 0.0 110.638 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -55.32 -40.62 71.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.072 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' HG3' HG12 ' B' ' 15' ' ' ILE . 30.5 mm-40 -89.35 -22.89 22.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.972 176.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 56.64 75.04 0.37 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.708 -166.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.8 m -89.14 152.0 3.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.278 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -79.76 156.9 74.9 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -49.0 -42.54 38.12 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.411 2.074 . . . . 0.0 112.122 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -63.52 -51.13 66.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -62.54 -39.68 94.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.817 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.42 -55.03 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.0 -40.52 89.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.792 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.4 ttp -62.13 -45.56 92.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.7 m -67.83 -45.69 73.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.602 0.239 . . . . 0.0 110.789 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.519 ' O ' HG21 ' A' ' 41' ' ' VAL . 96.7 mt -61.13 -42.79 99.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.894 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.85 -43.22 94.83 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.693 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -69.61 -35.47 75.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.668 0.271 . . . . 0.0 110.539 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.19 82.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.691 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.519 HG21 ' O ' ' A' ' 37' ' ' LEU . 57.3 t -60.26 -48.8 86.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.292 177.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.575 HG23 ' HG ' ' B' ' 67' ' ' SER . 46.1 m -59.4 -37.4 77.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.1 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.554 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 43.5 t30 -60.19 -43.39 95.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.756 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -68.17 -43.05 85.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.216 0.531 . . . . 0.0 110.269 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.462 HG22 ' HG3' ' A' ' 53' ' ' ARG . 59.3 mt -68.72 -26.53 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.486 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.16 -16.35 59.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.786 0.327 . . . . 0.0 111.331 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 77.2 mt-30 -85.77 -34.77 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.864 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.5 m -72.35 150.01 91.62 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.48 145.13 98.88 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.588 2.192 . . . . 0.0 111.203 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.673 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 15.4 tt0 -67.43 -8.72 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.083 0.468 . . . . 0.0 111.334 -174.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -61.94 -29.44 70.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.806 174.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.501 ' O ' HG22 ' A' ' 56' ' ' VAL . 29.5 mtpp -111.61 -19.68 12.42 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.094 0.473 . . . . 0.0 110.404 177.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.673 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 41.0 ttm180 -57.37 -41.13 79.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.956 -168.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.67 -35.67 18.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.211 0.529 . . . . 0.0 110.719 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.06 -42.93 72.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.121 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 52' ' ' LYS . 23.9 m -67.83 -35.88 73.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.4 p -74.39 -35.34 39.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.936 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.71 -43.09 80.89 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.206 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -65.71 -39.52 91.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -57.8 -55.5 34.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.406 0.622 . . . . 0.0 110.287 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.61 ' OG1' ' HE3' ' B' ' 65' ' ' LYS . 23.0 p -66.55 -40.75 89.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.618 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -59.22 -44.62 92.29 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.777 0.322 . . . . 0.0 110.771 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.1 98.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.001 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -55.1 -51.96 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.734 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.15 -48.52 76.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.549 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -19.71 58.27 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -174.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.0 m -87.81 -21.97 24.77 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.221 0.534 . . . . 0.0 110.797 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -93.34 -48.79 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.436 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.663 0.268 . . . . 0.0 110.76 -178.726 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.478 ' O ' HG23 ' B' ' 12' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -62.15 -22.31 65.75 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.897 0.38 . . . . 0.0 110.655 -177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -62.08 -53.85 49.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.873 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.505 ' O ' HG13 ' B' ' 15' ' ' ILE . 66.8 ttt180 -71.88 -37.83 70.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.274 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 8' ' ' SER . 96.6 t -59.18 -53.0 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.717 0.294 . . . . 0.0 111.023 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -71.72 -26.88 62.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.119 0.485 . . . . 0.0 110.048 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.47 -49.19 78.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.462 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.505 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.9 mt -60.19 -45.95 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.558 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.502 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 73.4 mt -56.89 -45.19 83.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.367 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.96 -47.23 84.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.874 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -63.56 -34.77 78.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.08 0.467 . . . . 0.0 110.398 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.4 mt -67.11 -39.11 86.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.597 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 94.2 mt -65.03 -34.44 78.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.27 177.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.94 -39.58 92.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.488 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.71 -41.19 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.08 0.466 . . . . 0.0 110.669 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.34 -44.96 89.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.254 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p -76.73 -24.62 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.702 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -60.34 -38.83 85.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.861 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.459 ' HB2' HG11 ' B' ' 28' ' ' VAL . 70.8 mm-40 -94.63 -9.58 34.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.035 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 55.95 48.92 16.9 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.129 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.459 HG11 ' HB2' ' B' ' 26' ' ' GLU . 24.6 m -71.43 152.56 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.411 -177.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 19.1 p -82.46 160.33 62.28 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.83 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -53.48 -37.2 82.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.361 2.041 . . . . 0.0 111.934 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.59 -50.23 65.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.343 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.34 -38.83 92.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.771 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.26 -57.01 13.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.77 -39.09 93.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.019 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 57.2 ttp -64.39 -41.49 96.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.22 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -70.58 -41.82 71.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.592 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.494 ' O ' HG21 ' B' ' 41' ' ' VAL . 94.0 mt -61.87 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.752 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.28 -42.67 95.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.427 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -65.72 -39.91 91.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.615 0.245 . . . . 0.0 110.944 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.09 81.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.494 HG21 ' O ' ' B' ' 37' ' ' LEU . 78.6 t -57.9 -47.99 85.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.676 178.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.1 m -57.95 -40.52 80.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.258 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -66.83 -33.76 76.32 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.855 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.2 mm -70.33 -45.88 73.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 0.0 110.327 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.488 HG22 ' HG3' ' B' ' 53' ' ' ARG . 63.7 mt -66.69 -26.04 36.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.7 -13.41 61.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.401 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -89.34 -5.91 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.362 0.601 . . . . 0.0 110.012 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 22.6 t -100.45 125.75 38.2 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.296 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -51.9 143.99 37.57 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.822 2.348 . . . . 0.0 112.283 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.558 ' HA ' ' CB ' ' B' ' 53' ' ' ARG . 40.8 mt-10 -55.94 -26.12 46.44 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -175.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.406 ' HB3' ' HD2' ' B' ' 52' ' ' LYS . 47.0 t -50.03 -34.41 21.27 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.538 0.524 . . . . 0.0 111.431 177.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -132.12 15.97 4.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.087 0.47 . . . . 0.0 110.523 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.558 ' CB ' ' HA ' ' B' ' 50' ' ' GLU . 43.5 ttm180 -74.62 -36.5 62.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.621 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.62 -38.85 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.138 0.494 . . . . 0.0 109.81 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.32 82.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.28 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 31.0 m -68.05 -39.9 82.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 p -71.32 -37.87 67.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.002 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.21 -46.85 75.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.63 -42.07 82.62 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.742 177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.17 -51.51 69.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.518 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 34.5 p -67.18 -34.58 77.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.723 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -64.44 -45.32 87.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.76 91.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 28.0 mt -55.38 -57.61 11.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.292 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.61 ' HE3' ' OG1' ' A' ' 61' ' ' THR . 88.0 mttt -59.97 -34.32 73.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.862 -175.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -70.99 -51.56 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.187 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' SER . . . . . 0.575 ' HG ' HG23 ' A' ' 42' ' ' THR . 12.8 t -61.48 -38.77 88.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -175.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.266 179.329 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -62.39 -28.61 69.9 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.69 0.281 . . . . 0.0 111.194 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.13 -39.6 86.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.334 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.484 ' O ' HG13 ' A' ' 15' ' ' ILE . 61.5 ttt180 -72.75 -37.02 67.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.169 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 16' ' ' ILE . 58.8 t -55.24 -50.25 66.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.557 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HA ' HD12 ' A' ' 16' ' ' ILE . 31.6 tt0 -70.54 -29.92 66.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.688 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.18 -45.89 89.85 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.29 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 11' ' ' ARG . 62.3 mt -63.83 -37.86 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.358 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.528 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 71.0 mt -59.15 -47.89 88.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.029 0.442 . . . . 0.0 109.908 175.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -61.86 -44.09 97.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.528 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -45.51 77.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.586 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 90.1 mt -65.06 -42.63 94.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.865 178.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.7 mt -60.62 -42.08 96.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.695 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.42 -37.38 80.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.5 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.96 -37.23 83.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.02 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -79.17 -32.69 15.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.839 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -58.44 -40.79 83.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.169 0.509 . . . . 0.0 110.659 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -86.29 -21.37 27.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.06 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 58.38 66.82 1.02 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.506 -173.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 m -92.24 166.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.746 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -89.65 161.73 38.29 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.462 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 51.8 Cg_exo -55.28 -44.28 50.49 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.277 1.985 . . . . 0.0 111.691 177.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.88 -46.25 90.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.668 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.595 HD13 HG21 ' B' ' 12' ' ' VAL . 63.0 tp -65.44 -42.05 92.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.761 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.28 -48.45 78.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.9 mt -59.65 -45.88 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.18 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.5 ttp -61.05 -41.24 96.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.9 m -69.21 -48.7 61.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.85 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.9 mt -58.58 -42.67 88.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.756 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.82 -47.93 82.21 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.278 -0.487 . . . . 0.0 112.745 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -69.69 -32.76 71.54 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.888 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.8 85.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.896 0.379 . . . . 0.0 110.264 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 37' ' ' LEU . 88.6 t -59.9 -46.68 93.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.255 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.477 HG23 HG22 ' B' ' 68' ' ' VAL . 43.2 m -60.45 -26.92 67.12 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.32 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -73.45 -45.07 56.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.506 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -65.78 -41.06 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.039 0.447 . . . . 0.0 110.825 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.51 HG23 ' HG3' ' A' ' 53' ' ' ARG . 58.9 mt -71.08 -17.04 19.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.916 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.42 -6.66 59.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 110.983 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -87.11 -10.3 53.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.1 m -105.7 155.3 38.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.681 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.11 140.03 80.45 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.895 2.397 . . . . 0.0 111.481 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.664 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 4.3 pt-20 -64.67 -17.16 63.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -174.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.5 t -58.51 -42.78 88.46 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.931 0.396 . . . . 0.0 110.332 172.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' HG22 ' A' ' 56' ' ' VAL . 57.3 mttm -92.91 -26.96 17.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.322 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.664 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 32.0 ttm180 -51.46 -48.52 62.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.928 -174.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.43 -44.5 94.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.63 -43.5 93.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.178 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 52' ' ' LYS . 94.5 t -63.92 -47.28 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.444 -178.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.47 -37.36 79.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.429 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.506 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 37.5 t70 -70.43 -41.26 73.1 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.887 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -64.13 -35.86 82.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.901 0.381 . . . . 0.0 110.196 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.68 -54.58 44.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.819 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.978 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 44.8 p -63.35 -36.63 84.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.55 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -62.53 -48.0 81.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.749 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.67 -30.62 70.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.028 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 68' ' ' VAL . 10.5 mt -57.47 -59.07 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.243 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.538 ' HG2' HG21 ' B' ' 57' ' ' VAL . 8.9 mtmp? -62.11 -35.52 78.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.982 0.42 . . . . 0.0 110.571 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.91 -48.43 74.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.449 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.1 p -69.72 -23.73 63.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -175.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 64' ' ' LEU . 72.6 t -72.81 -46.3 53.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.792 0.329 . . . . 0.0 110.427 176.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.773 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.402 ' HB3' ' HB3' ' B' ' 11' ' ' ARG . 43.7 t . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.47 -44.15 95.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.107 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.7 -31.26 72.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.037 0.446 . . . . 0.0 110.593 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.553 ' O ' HG13 ' B' ' 15' ' ' ILE . 46.8 ttt85 -67.78 -44.83 76.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.183 177.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.595 HG21 HD13 ' A' ' 32' ' ' LEU . 98.4 t -62.64 -42.11 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.141 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.77 -41.68 82.52 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.075 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -64.49 -45.16 88.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.138 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 11' ' ' ARG . 69.6 mt -58.68 -41.87 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.694 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.485 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 67.5 mt -61.81 -40.6 87.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.011 0.434 . . . . 0.0 110.187 176.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -66.29 -38.57 88.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.665 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' B' ' 21' ' ' ASP . 0.8 OUTLIER -60.91 -42.09 97.42 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.039 0.447 . . . . 0.0 110.896 176.419 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 77.0 mt -63.97 -42.99 97.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.189 177.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 98.5 mt -63.84 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.716 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.485 ' HA ' HG12 ' B' ' 24' ' ' VAL . 17.8 t70 -60.25 -48.4 81.92 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.223 175.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 1.027 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 57.9 t -54.79 -43.1 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.427 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.69 -38.63 77.06 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.58 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' B' ' 21' ' ' ASP . 11.1 p -83.14 -32.4 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 1.027 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 55.0 pttt -72.34 -24.05 61.24 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.78 178.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -88.76 -25.48 22.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.162 174.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 60.87 53.19 3.91 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.506 0.67 . . . . 0.0 110.188 -175.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.426 HG12 HD12 ' A' ' 15' ' ' ILE . 32.7 m -84.73 159.59 3.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.297 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 34.2 p -84.97 156.68 60.62 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.879 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.421 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 10.2 Cg_endo -52.77 -40.12 75.27 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.856 2.371 . . . . 0.0 112.382 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.04 -45.29 89.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.753 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -66.82 -45.14 79.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.489 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -54.96 -52.07 64.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.026 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.449 HD21 HG12 ' A' ' 41' ' ' VAL . 98.6 mt -61.16 -42.2 98.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.218 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.1 ttp -63.14 -41.1 99.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.01 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 93.8 m -72.15 -41.62 66.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.017 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.525 ' O ' HG22 ' B' ' 41' ' ' VAL . 90.8 mt -58.17 -47.64 82.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.574 177.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -46.94 93.19 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.603 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -65.07 -28.69 69.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.574 0.226 . . . . 0.0 111.48 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.77 -44.04 70.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 110.085 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.525 HG22 ' O ' ' B' ' 37' ' ' LEU . 79.0 t -58.57 -46.09 90.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.635 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -52.91 -41.81 64.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.766 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -69.89 -38.12 76.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.614 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.4 mm -66.41 -44.81 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.605 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.505 HD12 ' HB ' ' B' ' 57' ' ' VAL . 69.4 mt -64.92 -28.03 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.64 -12.18 60.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.288 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -100.7 -4.55 28.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.27 0.557 . . . . 0.0 109.903 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -86.5 138.83 33.7 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.702 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -41.1 128.93 3.03 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.557 2.838 . . . . 0.0 112.85 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.522 ' HA ' ' HB2' ' B' ' 53' ' ' ARG . 31.8 tt0 -62.41 -27.31 69.0 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -170.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.9 t -61.01 -30.21 70.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.663 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.443 ' O ' HG11 ' B' ' 56' ' ' VAL . 16.9 ptpt -114.85 5.63 15.21 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.907 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.522 ' HB2' ' HA ' ' B' ' 50' ' ' GLU . 42.9 ttm180 -65.82 -42.71 90.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.673 0.273 . . . . 0.0 111.42 -174.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.6 -31.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.6 0.714 . . . . 0.0 109.371 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -45.58 66.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.662 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.443 HG11 ' O ' ' B' ' 52' ' ' LYS . 28.5 m -65.87 -34.08 67.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.538 HG21 ' HG2' ' A' ' 65' ' ' LYS . 8.2 p -73.76 -38.13 50.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.434 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.463 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 20.9 t70 -67.81 -46.23 72.49 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -67.04 -29.86 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.829 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.449 ' HE1' ' O ' ' A' ' 34' ' ' LEU . 65.6 t80 -62.83 -51.75 65.82 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 173.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.978 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 61.4 p -65.86 -34.28 77.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -58.28 -56.14 25.9 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.09 171.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.84 83.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.351 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.405 ' O ' HG21 ' B' ' 68' ' ' VAL . 15.5 mt -53.67 -62.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.374 0.421 . . . . 0.0 111.273 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 56.5 mtmt -63.08 -30.05 71.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -71.56 -44.76 63.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.502 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -72.33 -36.82 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.477 HG22 HG23 ' A' ' 42' ' ' THR . 79.2 t . . . . . 0 C--O 1.233 0.187 0 CA-C-N 116.715 -0.221 . . . . 0.0 111.448 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -59.3 -32.45 70.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.181 -174.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.86 -45.83 91.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.707 0.289 . . . . 0.0 110.378 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.44 ' O ' HG13 ' A' ' 15' ' ' ILE . 20.8 ttt180 -67.65 -42.23 82.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.571 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 16' ' ' ILE . 86.2 t -58.36 -50.18 79.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.66 -25.07 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.979 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -62.26 -50.27 72.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.026 0.441 . . . . 0.0 110.022 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 11' ' ' ARG . 57.4 mt -61.84 -44.23 98.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.328 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 12' ' ' VAL . 79.6 mt -57.91 -48.04 84.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.798 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -65.25 -38.33 90.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.297 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -66.84 -37.15 83.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.006 0.432 . . . . 0.0 110.161 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.488 HD11 HD23 ' B' ' 37' ' ' LEU . 84.8 mt -66.54 -46.97 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.385 175.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.62 -33.81 75.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.568 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.46 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 8.9 t70 -62.85 -41.7 99.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.012 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.12 -43.65 93.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.774 0.321 . . . . 0.0 110.232 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.13 -46.68 89.57 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.66 -35.97 63.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 110.597 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 33.1 ttmt -58.96 -38.4 79.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.855 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.414 ' HB2' HG11 ' A' ' 28' ' ' VAL . 45.9 mm-40 -93.31 -6.82 46.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.109 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 55.21 48.79 18.65 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.13 0.49 . . . . 0.0 110.87 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.414 HG11 ' HB2' ' A' ' 26' ' ' GLU . 25.9 m -73.73 152.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.514 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 p -81.72 157.74 69.08 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.5 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.567 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 10.1 Cg_endo -53.66 -42.01 69.41 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.317 2.011 . . . . 0.0 111.105 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -57.5 -51.75 68.17 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.633 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD12 HG22 ' B' ' 12' ' ' VAL . 57.3 tp -65.72 -42.62 90.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.855 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.55 96.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.182 -178.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.9 mt -62.25 -41.19 98.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.703 0.287 . . . . 0.0 110.676 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 43.5 ttp -67.56 -28.99 68.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.101 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.483 ' HA ' HG12 ' B' ' 16' ' ' ILE . 65.8 m -82.43 -50.21 9.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.795 0.331 . . . . 0.0 110.782 178.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.2 mt -61.0 -49.71 76.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -178.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.61 -35.91 91.85 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.358 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 35' ' ' MET . 15.7 t-20 -66.39 -40.26 89.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.218 0.532 . . . . 0.0 109.797 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.66 82.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.706 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 37' ' ' LEU . 60.5 t -59.33 -42.32 87.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.451 178.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -56.25 -43.93 79.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.188 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.433 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 44.1 t30 -60.18 -43.42 95.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.683 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -65.48 -48.45 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.29 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.503 HG21 ' HB ' ' A' ' 57' ' ' VAL . 47.0 mt -71.32 -28.18 31.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.801 0.334 . . . . 0.0 111.192 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.24 -15.67 63.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 69.2 mt-30 -91.71 -1.28 57.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.042 0.448 . . . . 0.0 110.631 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.546 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 45.4 t -90.35 137.89 27.35 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.269 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.99 145.21 94.21 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 122.152 1.901 . . . . 0.0 111.983 174.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 3.3 tp10 -55.86 -26.34 46.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.169 -173.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -53.13 -30.96 39.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.736 0.303 . . . . 0.0 111.815 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -135.48 -0.06 2.7 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.362 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.546 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 44.9 ttp180 -68.21 -52.56 32.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.055 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 58.3 t -61.6 -31.67 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.179 0.514 . . . . 0.0 110.024 176.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.18 -53.53 29.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.601 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.09 -36.72 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.503 ' HB ' HG21 ' A' ' 45' ' ' ILE . 11.4 p -72.41 -26.94 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.513 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 4.2 t70 -74.59 -46.23 39.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.063 0.459 . . . . 0.0 109.891 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -62.73 -40.21 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.33 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -56.24 -52.36 64.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.533 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.5 HG23 HG21 ' B' ' 61' ' ' THR . 10.8 p -69.01 -37.13 78.51 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.413 -176.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -61.92 -50.19 73.14 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.918 0.389 . . . . 0.0 110.545 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.27 80.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.185 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.6 mt -58.39 -55.89 29.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -57.81 -41.24 81.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.191 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -68.25 -45.51 73.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.259 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.0 t -67.74 -36.72 81.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.833 -0.167 . . . . 0.0 111.003 -176.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.93 -49.99 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.703 0.287 . . . . 0.0 111.333 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.464 -177.387 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.418 ' O ' HG21 ' B' ' 12' ' ' VAL . 21.3 m . . . . . 0 C--O 1.234 0.274 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -52.69 -49.16 65.86 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.515 0.509 . . . . 0.0 112.037 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.57 -50.13 68.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.532 ' O ' HG13 ' B' ' 15' ' ' ILE . 35.8 ttt85 -64.97 -50.63 65.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.965 -177.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.508 HG22 HD12 ' A' ' 32' ' ' LEU . 89.7 t -60.19 -50.26 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.337 -177.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.21 -24.22 61.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.981 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -75.77 -33.3 60.19 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.786 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.537 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 87.0 mt -60.92 -47.31 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.483 HG12 ' HA ' ' A' ' 36' ' ' CYS . 55.8 mt -59.6 -44.9 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.385 175.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -58.49 -52.93 63.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.934 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.415 ' O ' HG22 ' B' ' 22' ' ' VAL . 24.9 t70 -60.85 -36.11 78.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.579 0.228 . . . . 0.0 111.33 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 96.0 mt -62.04 -44.14 97.32 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 110.148 174.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.452 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.38 -28.99 69.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.994 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 84.9 t -69.77 -39.45 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.4 0.619 . . . . 0.0 109.785 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.17 -37.58 85.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.8 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 84.5 t -78.38 -30.01 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.075 0.464 . . . . 0.0 110.747 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 72.2 tttt -52.35 -46.52 66.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.666 175.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -95.32 -8.72 35.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.247 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 46.6 65.28 1.25 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.646 0.736 . . . . 0.0 110.326 -170.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 33.2 m -69.32 153.19 8.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.673 -1.149 . . . . 0.0 112.444 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.509 HG22 ' HD2' ' B' ' 30' ' ' PRO . 0.2 OUTLIER -89.3 146.61 36.44 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 114.288 -1.324 . . . . 0.0 109.119 177.468 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.509 ' HD2' HG22 ' B' ' 29' ' ' THR . 48.2 Cg_exo -40.03 -51.36 3.15 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.376 2.718 . . . . 0.0 114.574 -178.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.84 -35.48 77.0 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.936 0.398 . . . . 0.0 110.76 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.41 -44.99 77.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.373 176.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.08 -52.77 64.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.114 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.03 -31.11 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.98 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 36.7 ttp -69.49 -49.51 54.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.733 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.71 -47.5 72.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.236 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.558 ' O ' HG21 ' B' ' 41' ' ' VAL . 88.1 mt -61.42 -42.71 99.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.12 -42.73 97.23 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.663 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -72.12 -34.31 68.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.655 0.264 . . . . 0.0 110.777 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.13 84.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.558 HG21 ' O ' ' B' ' 37' ' ' LEU . 60.4 t -59.89 -51.94 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.665 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 56.9 m -55.96 -35.79 67.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.527 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.39 -39.78 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.787 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.7 tt -83.96 -22.05 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.892 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 41' ' ' VAL . 61.2 mt -72.65 -27.71 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.213 0.53 . . . . 0.0 109.935 175.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.39 -18.14 64.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.75 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -81.94 -10.64 59.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.296 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.2 t -92.98 130.99 34.38 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.926 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 146.92 26.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.872 2.381 . . . . 0.0 112.439 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -58.45 -25.56 62.37 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.971 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.4 m -52.4 -41.76 63.46 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.402 0.438 . . . . 0.0 111.787 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -123.26 7.69 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.674 0.273 . . . . 0.0 111.397 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -65.66 -36.38 83.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.88 0.371 . . . . 0.0 110.473 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.82 -32.9 42.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.207 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.4 -47.18 62.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.251 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 m -64.91 -38.62 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 8.6 p -73.51 -33.54 39.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.794 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -66.67 -50.44 62.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.933 0.397 . . . . 0.0 109.972 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -62.91 -32.65 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.426 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.53 -55.87 28.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.765 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' B' ' 65' ' ' LYS . 22.9 p -64.47 -33.65 76.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.377 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -66.53 -56.51 10.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.051 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.84 91.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.667 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.39 -45.46 87.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.92 0.39 . . . . 0.0 110.032 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' B' ' 61' ' ' THR . 1.7 tttm -59.59 -45.97 90.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.378 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -65.88 -39.29 90.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.347 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 6.3 t -70.31 -35.89 73.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.018 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 78.2 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.647 0.261 . . . . 0.0 110.367 176.637 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.5 p . . . . . 0 C--O 1.237 0.444 0 CA-C-O 120.616 0.246 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -62.73 -31.92 72.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.609 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -61.25 -45.24 95.33 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.872 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.616 ' O ' HG13 ' A' ' 15' ' ' ILE . 50.9 ttt85 -61.98 -46.09 90.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.856 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -55.28 -49.62 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.095 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -61.43 -38.6 87.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.212 0.53 . . . . 0.0 110.98 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' HA ' ' HB3' ' A' ' 17' ' ' GLN . 42.5 mttp -81.48 -19.78 41.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.88 -175.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 11' ' ' ARG . 93.4 mt -66.77 -47.57 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 169.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.434 HG21 ' HB2' ' B' ' 40' ' ' ALA . 64.1 mt -61.15 -45.7 98.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.096 176.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.498 ' HB3' ' HA ' ' A' ' 14' ' ' LYS . 42.7 tp60 -59.77 -47.22 86.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.361 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -60.21 -43.41 96.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 109.951 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.73 -48.08 82.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.654 176.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.71 -37.39 86.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.195 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.63 -40.62 97.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.345 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.27 -45.57 95.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.15 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.458 HD13 HD22 ' A' ' 37' ' ' LEU . 97.5 mt -60.3 -42.43 95.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.279 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -75.52 -32.77 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -56.94 -43.24 81.29 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 174.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.489 ' HG3' HG12 ' B' ' 15' ' ' ILE . 66.5 mm-40 -82.02 -12.76 58.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.073 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 55.82 50.28 14.4 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.099 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.488 ' HA ' HD23 ' A' ' 32' ' ' LEU . 33.0 m -64.68 142.39 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.984 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 p -79.21 162.09 65.44 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.563 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 83.4 Cg_exo -48.82 -45.24 29.08 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.653 2.235 . . . . 0.0 112.584 178.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -72.96 -37.91 66.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.154 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 28' ' ' VAL . 60.1 tp -65.36 -38.74 90.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.867 0.365 . . . . 0.0 110.045 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.48 85.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.574 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 87.9 mt -58.78 -49.2 78.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.037 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttp -62.46 -39.04 92.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.467 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.443 ' HA ' HG12 ' B' ' 16' ' ' ILE . 61.1 m -76.08 -50.03 15.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.112 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.593 ' O ' HG21 ' A' ' 41' ' ' VAL . 95.7 mt -65.47 -47.28 76.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.206 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.91 -34.09 81.48 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.37 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.405 ' O ' HG22 ' A' ' 42' ' ' THR . 5.2 t-20 -68.3 -44.56 75.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.09 77.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.843 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.593 HG21 ' O ' ' A' ' 37' ' ' LEU . 82.3 t -61.79 -47.92 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.399 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 39' ' ' ASN . 5.3 t -74.94 -19.24 60.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -173.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -74.03 -34.51 64.14 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 174.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.37 -38.45 69.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.246 0.546 . . . . 0.0 109.955 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 41' ' ' VAL . 83.3 mt -62.22 -30.97 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.645 177.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.33 -5.49 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.462 . . . . 0.0 111.371 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.57 -24.28 18.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.148 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.539 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 27.5 m -91.56 162.51 31.38 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.475 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' A' ' 48' ' ' VAL . 27.6 Cg_endo -62.79 148.08 93.87 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.583 2.189 . . . . 0.0 112.133 175.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.549 ' OE1' ' HD2' ' A' ' 53' ' ' ARG . 2.4 mm-40 -59.84 -23.77 63.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.025 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.0 t -48.72 -39.56 25.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.32 176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -118.91 3.92 11.5 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.549 ' HD2' ' OE1' ' A' ' 50' ' ' GLU . 96.3 mtt180 -60.45 -49.77 76.26 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.597 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.62 -28.57 40.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.146 0.498 . . . . 0.0 110.424 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.33 -48.25 43.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.1 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.715 ' HB ' HD13 ' B' ' 34' ' ' LEU . 28.7 m -64.14 -35.51 74.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.46 ' HB ' HD12 ' A' ' 45' ' ' ILE . 9.4 p -73.74 -36.77 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.771 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.8 -39.07 80.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.089 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -72.37 -32.46 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -61.09 -53.65 54.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.337 0.589 . . . . 0.0 109.717 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.3 p -65.25 -37.73 88.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -58.14 -49.61 76.37 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.519 175.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.92 71.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.386 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.51 -61.21 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.056 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -64.2 -32.16 73.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.496 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -60.7 -38.62 85.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.163 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.1 m -88.19 -40.97 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.187 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.23 -48.89 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.313 . . . . 0.0 111.264 -175.872 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 120.686 0.279 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.37 -46.23 86.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.405 -176.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -60.23 -44.84 94.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.959 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.544 ' O ' HG13 ' B' ' 15' ' ' ILE . 55.3 ttt180 -63.88 -49.89 70.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.08 -46.73 95.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.77 -40.33 92.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.584 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -63.12 -43.8 97.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.056 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.544 HG13 ' O ' ' B' ' 11' ' ' ARG . 88.6 mt -57.74 -47.89 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.332 . . . . 0.0 110.489 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.443 HG12 ' HA ' ' A' ' 36' ' ' CYS . 63.2 mt -62.55 -46.66 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -64.92 -41.86 95.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.953 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.459 ' O ' HG21 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -58.47 -43.4 88.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.412 178.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 91.6 mt -63.81 -42.97 97.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.645 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.15 -39.01 88.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -68.03 -36.5 80.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.459 HG21 ' O ' ' B' ' 18' ' ' ASP . 76.8 t -61.07 -42.77 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.099 0.476 . . . . 0.0 110.358 174.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' B' ' 19' ' ' LEU . 91.3 mt -59.93 -42.76 94.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.709 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.0 t -68.48 -40.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.174 0.511 . . . . 0.0 110.234 176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -54.96 -43.43 73.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.422 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.511 ' HG3' HG12 ' A' ' 15' ' ' ILE . 12.0 mm-40 -86.28 -6.0 59.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.203 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 57.32 39.85 28.12 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.607 0.567 . . . . 0.0 111.123 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.525 ' HA ' HD21 ' B' ' 32' ' ' LEU . 32.1 m -62.75 131.68 28.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.087 0.47 . . . . 0.0 111.234 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.4 p -74.0 150.9 88.29 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.524 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 84.0 Cg_exo -46.52 -51.66 8.56 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.951 2.434 . . . . 0.0 113.322 -177.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.64 -38.46 91.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' B' ' 28' ' ' VAL . 44.1 tp -63.06 -44.5 95.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.462 175.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.96 78.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.614 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.715 HD13 ' HB ' ' A' ' 56' ' ' VAL . 84.3 mt -60.71 -44.76 96.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.444 177.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.429 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 50.4 ttp -64.55 -44.66 90.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 71.4 m -67.89 -52.51 35.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.305 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.574 ' O ' HG21 ' B' ' 41' ' ' VAL . 99.2 mt -63.1 -48.19 79.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.868 -178.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.21 97.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.488 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' B' ' 35' ' ' MET . 22.4 t-20 -66.6 -41.32 88.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.434 ' HB2' HG21 ' A' ' 16' ' ' ILE . . . -60.53 -47.37 86.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.569 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.574 HG21 ' O ' ' B' ' 37' ' ' LEU . 59.2 t -59.71 -43.3 91.15 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 CA-C-O 120.987 0.422 . . . . 0.0 110.398 177.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -58.12 -40.87 82.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.684 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -72.88 -12.98 61.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.921 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 71.2 mt -94.9 -43.24 12.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.383 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.487 ' O ' HG21 ' B' ' 48' ' ' VAL . 57.6 mt -69.11 -23.55 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.325 0.584 . . . . 0.0 110.711 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.56 -12.96 61.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.14 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -81.91 -35.94 28.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.01 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.487 HG21 ' O ' ' B' ' 45' ' ' ILE . 33.2 m -74.52 150.46 86.91 Favored Pre-proline 0 C--O 1.235 0.32 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.42 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.34 151.77 65.58 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.905 2.403 . . . . 0.0 112.024 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.447 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 24.1 mt-10 -66.96 -9.17 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.524 -175.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -70.32 -28.6 65.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.851 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -122.5 -4.21 8.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.289 . . . . 0.0 111.128 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.461 ' HG3' HG22 ' B' ' 45' ' ' ILE . 43.4 ttm180 -60.99 -40.13 92.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.473 -174.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.6 -39.59 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.059 0.457 . . . . 0.0 110.332 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.96 78.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.031 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.83 -50.01 81.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.708 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.17 -34.9 71.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.772 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.58 -44.83 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.666 0.269 . . . . 0.0 110.578 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.43 -42.32 82.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.125 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.16 -50.79 68.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.45 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -63.55 -39.43 94.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.745 -178.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -64.44 -46.73 81.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.334 . . . . 0.0 110.615 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.48 77.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.074 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.423 ' O ' HG22 ' B' ' 68' ' ' VAL . 58.9 mt -61.78 -57.29 12.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.428 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -61.27 -41.95 97.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.613 0.244 . . . . 0.0 111.074 -176.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -60.75 -36.08 78.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.104 0.478 . . . . 0.0 110.598 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 30.8 t -76.99 -25.48 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.259 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 64' ' ' LEU . 95.4 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 120.747 0.308 . . . . 0.0 110.715 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -53.63 -34.48 58.72 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.379 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -59.85 -55.23 36.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.572 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' O ' HG13 ' A' ' 15' ' ' ILE . 78.5 ttt180 -58.61 -46.11 87.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.882 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 16' ' ' ILE . 92.6 t -55.03 -53.1 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.486 -178.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -79.17 -16.09 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.765 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -64.77 -48.22 75.3 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 171.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 11' ' ' ARG . 61.8 mt -59.49 -48.99 85.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.225 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 12' ' ' VAL . 69.1 mt -55.75 -49.79 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.977 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -64.61 -40.86 96.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.78 -37.47 86.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.015 0.436 . . . . 0.0 110.334 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.48 -45.96 81.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.689 174.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 93.9 mt -61.7 -34.3 75.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.891 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.416 ' HA ' HG13 ' A' ' 24' ' ' VAL . 23.3 t70 -64.53 -43.31 94.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.201 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.1 t -59.31 -42.89 88.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.045 0.45 . . . . 0.0 110.047 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.45 -44.99 95.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.631 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.416 HG13 ' HA ' ' A' ' 21' ' ' ASP . 11.3 p -75.37 -31.06 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.606 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -65.25 -39.82 93.18 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.753 175.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -77.5 -10.77 59.67 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.654 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 60.31 42.85 14.38 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.3 m -75.12 134.8 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-O 122.053 0.93 . . . . 0.0 111.81 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.504 HG21 ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -76.31 143.15 72.51 Favored Pre-proline 0 N--CA 1.436 -1.149 0 CA-C-N 114.016 -1.447 . . . . 0.0 109.358 176.667 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.504 ' HD2' HG21 ' A' ' 29' ' ' THR . 53.5 Cg_exo -41.2 -48.7 4.97 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.44 2.76 . . . . 0.0 114.044 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.49 -49.79 76.15 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.386 0.612 . . . . 0.0 110.446 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.1 tp -59.78 -43.05 94.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.75 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.86 85.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.94 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 95.9 mt -60.47 -46.29 90.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 0.0 110.372 177.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.452 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 50.2 ttp -63.82 -36.12 82.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.003 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.5 m -75.26 -50.5 15.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.571 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.1 mt -62.46 -50.62 70.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.384 -177.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.02 -35.69 88.04 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.258 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 35' ' ' MET . 14.8 t-20 -67.94 -41.76 82.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.239 0.542 . . . . 0.0 109.763 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.13 -43.35 95.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.714 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.5 t -57.57 -41.7 79.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.307 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.462 HG21 HG23 ' B' ' 68' ' ' VAL . 89.3 m -55.29 -43.72 75.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.302 178.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -72.86 -31.22 64.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -69.41 -42.57 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 0.0 110.355 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.415 ' CG2' ' HG3' ' A' ' 53' ' ' ARG . 72.4 mt -67.01 -25.62 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.158 0.504 . . . . 0.0 110.116 177.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.86 -17.04 64.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.897 0.379 . . . . 0.0 110.967 178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -89.55 -4.66 57.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.355 0.598 . . . . 0.0 110.169 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 t -92.39 137.02 24.83 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.89 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -64.0 144.73 88.53 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.185 1.923 . . . . 0.0 111.903 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -52.06 -32.61 35.36 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.181 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -54.86 -35.46 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.157 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -122.0 3.2 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 111.137 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.415 ' HG3' ' CG2' ' A' ' 45' ' ' ILE . 18.5 ttp180 -68.41 -37.29 80.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.672 -174.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.86 -38.98 44.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.394 0.616 . . . . 0.0 110.216 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.56 97.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.501 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.8 m -68.03 -39.02 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -177.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -70.8 -32.04 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.306 -177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.39 -49.23 44.06 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 110.415 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -63.0 -38.19 90.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -53.83 -53.59 50.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.427 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.559 HG23 HG21 ' B' ' 61' ' ' THR . 14.1 p -74.76 -41.84 59.34 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.954 -174.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -57.98 -49.41 76.92 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 120.996 0.427 . . . . 0.0 111.128 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.99 68.63 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.381 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.22 -53.11 61.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.503 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.475 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 43.5 mtpt -58.55 -44.66 89.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.974 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -59.78 -46.86 87.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.257 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.9 m -67.34 -40.93 85.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.388 -176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.55 -35.88 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.812 0.339 . . . . 0.0 110.94 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.383 -179.661 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.447 -0.594 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.413 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 27.0 p-10 -61.65 -25.44 67.37 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.46 -43.62 84.15 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.619 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.467 ' O ' HG13 ' B' ' 15' ' ' ILE . 54.6 ttt85 -78.89 -35.65 43.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 -177.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.421 ' O ' HG13 ' B' ' 16' ' ' ILE . 91.7 t -60.55 -50.64 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.461 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' B' ' 9' ' ' ASN . 53.2 mm-40 -63.4 -34.08 76.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.897 0.379 . . . . 0.0 110.274 176.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -61.06 -53.68 54.16 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.192 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 11' ' ' ARG . 75.2 mt -58.24 -40.7 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.512 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 12' ' ' VAL . 74.9 mt -60.48 -43.41 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.114 175.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -64.08 -42.9 96.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.839 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.61 -42.61 93.02 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.459 HD13 HD23 ' A' ' 37' ' ' LEU . 96.9 mt -65.29 -47.25 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.773 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 91.0 mt -62.51 -35.32 79.03 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.492 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -58.1 -47.86 81.95 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.55 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.23 -45.4 93.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 O-C-N 123.216 0.323 . . . . 0.0 110.883 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.41 -39.88 92.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.439 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 91.0 t -75.63 -38.04 37.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.964 0.411 . . . . 0.0 110.63 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -57.96 -41.3 82.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.925 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -80.67 -16.95 52.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.576 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 50.39 67.06 0.98 Allowed 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.117 -170.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 32.3 m -85.31 155.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.627 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 23.6 p -84.18 159.43 59.49 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.25 -50.34 13.76 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.719 2.279 . . . . 0.0 112.622 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.43 -43.69 93.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.78 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 tp -61.86 -44.07 97.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.644 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.57 81.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.88 -42.67 98.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 57.8 ttp -62.0 -41.89 98.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 62.5 m -69.15 -47.66 64.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.536 ' O ' HG21 ' B' ' 41' ' ' VAL . 99.0 mt -60.37 -41.39 93.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.248 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.26 -44.38 93.36 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.64 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -69.97 -34.83 73.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.803 0.335 . . . . 0.0 110.733 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.16 92.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.509 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.536 HG21 ' O ' ' B' ' 37' ' ' LEU . 64.0 t -61.57 -37.44 77.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.324 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.5 m -57.34 -41.48 80.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.772 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.14 -39.44 82.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.887 0.375 . . . . 0.0 110.513 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.7 mm -61.61 -47.87 91.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.386 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.426 HG13 ' O ' ' B' ' 41' ' ' VAL . 36.8 mt -71.22 -20.04 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.152 0.501 . . . . 0.0 110.361 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.643 ' HA ' ' NH1' ' B' ' 53' ' ' ARG . . . -75.13 -10.44 59.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 176.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -88.81 -6.95 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.578 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.444 ' CG1' ' HG3' ' B' ' 52' ' ' LYS . 20.7 t -102.53 129.19 26.5 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.816 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.48 142.64 85.61 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.417 2.078 . . . . 0.0 112.01 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 6.1 mp0 -45.38 -31.37 1.63 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.344 0.658 . . . . 0.0 112.589 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 15.2 m -46.44 -41.08 13.32 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 123.637 0.586 . . . . 0.0 111.735 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.444 ' HG3' ' CG1' ' B' ' 48' ' ' VAL . 20.2 ptmt -125.93 3.26 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.881 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.643 ' NH1' ' HA ' ' B' ' 46' ' ' ALA . 21.5 ttm-85 -62.36 -47.01 86.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -176.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 37.5 t -65.87 -35.17 74.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.206 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.41 -51.13 60.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.04 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.75 -35.57 75.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 p -71.4 -31.37 43.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 120.92 0.391 . . . . 0.0 110.645 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.69 -45.71 35.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -60.85 -41.35 95.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.66 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -56.01 -54.92 39.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.374 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.559 HG21 HG23 ' A' ' 61' ' ' THR . 18.9 p -70.0 -34.1 72.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.364 -176.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.69 -58.7 7.42 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.03 0.443 . . . . 0.0 110.657 173.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.525 -177.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 tt -58.83 -49.45 77.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.941 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.487 ' HG3' HG21 ' A' ' 61' ' ' THR . 8.5 mtmp? -62.36 -43.0 99.84 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.522 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.929 ' HA ' HE21 ' B' ' 66' ' ' GLN . 0.0 OUTLIER -75.21 -30.93 60.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -176.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 17.5 p -72.76 -46.58 52.69 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.669 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.462 HG23 HG21 ' A' ' 42' ' ' THR . 94.4 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.636 -0.257 . . . . 0.0 111.518 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' HG21 ' A' ' 12' ' ' VAL . 22.3 p . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.12 -30.47 71.62 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.081 0.238 . . . . 0.0 110.778 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.23 -43.0 99.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.471 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' HG13 ' A' ' 15' ' ' ILE . 79.9 ttt180 -70.0 -33.88 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.167 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' ' 16' ' ' ILE . 61.1 t -61.63 -50.18 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.923 175.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.28 -39.71 70.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.836 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.24 -49.05 79.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.34 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 11' ' ' ARG . 56.1 mt -63.93 -43.3 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.365 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 12' ' ' VAL . 68.8 mt -60.93 -39.8 83.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.208 177.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.6 -41.86 92.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.751 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.09 -37.57 84.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.424 . . . . 0.0 110.283 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.7 -51.51 64.7 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.763 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.527 HD21 HD11 ' A' ' 23' ' ' LEU . 91.9 mt -64.59 -27.49 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.828 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -46.97 85.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.923 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.3 t -60.24 -45.25 96.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.022 0.439 . . . . 0.0 110.723 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.527 HD11 HD21 ' A' ' 20' ' ' LEU . 97.7 mt -60.65 -42.03 96.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.65 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t -80.58 -32.34 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -54.33 -47.28 72.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.4 0.619 . . . . 0.0 110.138 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HB2' HG12 ' A' ' 28' ' ' VAL . 57.5 mm-40 -88.45 -5.43 58.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.142 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 37.55 58.43 1.33 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 124.309 1.006 . . . . 0.0 111.397 -174.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.41 HG12 ' HB2' ' A' ' 26' ' ' GLU . 33.3 m -73.41 162.25 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.748 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.2 p -86.81 159.77 51.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.294 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.38 -48.48 18.6 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.864 2.376 . . . . 0.0 112.538 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -56.51 -50.72 71.0 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.627 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.89 -46.36 88.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.872 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.74 -53.34 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.102 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.5 mt -60.83 -43.54 98.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.458 -176.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.4 ttp -64.65 -40.29 95.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.647 0.261 . . . . 0.0 111.086 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -68.69 -47.34 66.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.765 0.317 . . . . 0.0 110.671 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.557 ' O ' HG21 ' A' ' 41' ' ' VAL . 96.0 mt -61.24 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.14 -43.73 93.32 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.847 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -69.12 -36.59 77.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.642 0.258 . . . . 0.0 110.754 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 -46.39 88.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.435 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.557 HG21 ' O ' ' A' ' 37' ' ' LEU . 60.0 t -60.74 -54.14 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.344 177.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.6 m -57.33 -39.23 75.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.708 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -66.74 -36.39 82.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.393 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.9 tt -84.73 -25.73 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.014 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.413 ' O ' ' HG3' ' A' ' 53' ' ' ARG . 57.2 mt -65.55 -33.24 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.373 0.606 . . . . 0.0 109.95 174.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.29 -14.59 61.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.138 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -83.63 -15.67 48.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.417 0.627 . . . . 0.0 109.703 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.1 t -81.1 135.93 50.67 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.379 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -44.41 126.06 6.45 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.886 2.391 . . . . 0.0 112.194 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.502 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 41.9 tt0 -50.99 -34.63 29.91 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.069 -174.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -50.77 -32.52 20.06 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.996 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.733 ' HZ3' ' HB3' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -123.02 6.74 9.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.935 0.398 . . . . 0.0 110.554 179.059 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.502 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 40.3 ttm180 -67.44 -40.51 85.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.192 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.81 -35.71 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.058 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.19 -51.63 62.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.5 m -63.87 -35.22 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -175.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -75.0 -33.03 28.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.585 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.27 -36.18 68.94 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.603 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -63.5 -46.3 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.429 ' CE2' HG12 ' A' ' 41' ' ' VAL . 52.6 t80 -58.33 -51.49 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.059 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.1 p -65.69 -41.44 92.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.837 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -60.71 -51.42 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.293 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.46 90.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.856 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.504 ' O ' HG21 ' A' ' 68' ' ' VAL . 9.5 mt -49.52 -66.47 0.39 Allowed 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.726 0.641 . . . . 0.0 112.029 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HG2' HG23 ' B' ' 57' ' ' VAL . 50.8 mtmt -63.81 -29.03 70.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.497 -174.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -69.19 -39.84 78.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.704 0.288 . . . . 0.0 110.642 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 p -80.93 -10.24 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 111.406 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 64' ' ' LEU . 53.4 t -85.93 -41.84 15.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.768 0.318 . . . . 0.0 110.647 176.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 97.9 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.461 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.79 -36.44 76.72 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -175.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.32 -35.98 70.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.755 0.312 . . . . 0.0 110.656 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.478 ' O ' HG13 ' B' ' 15' ' ' ILE . 9.8 ttt-85 -71.07 -41.86 70.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.928 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.3 -46.98 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.007 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -57.72 -40.2 79.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.695 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -64.68 -49.97 68.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.153 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.512 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 76.5 mt -60.11 -44.15 94.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -175.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.402 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 76.4 mt -59.91 -40.95 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.273 176.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -61.91 -46.88 87.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.653 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.437 ' O ' HG21 ' B' ' 22' ' ' VAL . 15.2 m-20 -64.24 -35.85 82.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.077 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.7 mt -64.01 -44.01 93.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 110.375 175.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 97.9 mt -65.21 -33.68 76.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.374 176.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.445 ' HA ' HG13 ' B' ' 24' ' ' VAL . 0.6 OUTLIER -62.06 -38.65 89.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.815 176.014 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.52 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 95.5 t -62.87 -41.4 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 0.0 110.541 177.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.47 HD22 HG22 ' B' ' 28' ' ' VAL . 84.5 mt -65.52 -35.36 80.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.92 -178.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.445 HG13 ' HA ' ' B' ' 21' ' ' ASP . 9.7 p -85.01 -19.0 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 120.917 0.389 . . . . 0.0 110.808 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.52 ' HD3' ' HA ' ' B' ' 22' ' ' VAL . 9.9 mtpm? -62.27 -35.87 80.32 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.192 0.52 . . . . 0.0 110.046 172.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.511 ' HG3' HG12 ' A' ' 15' ' ' ILE . 46.5 mm-40 -102.99 -14.52 16.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.66 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 55.2 49.05 18.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.415 0.626 . . . . 0.0 109.899 -173.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.47 HG22 HD22 ' B' ' 23' ' ' LEU . 34.0 m -61.23 148.3 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.161 -175.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 40.3 p -80.77 165.17 47.3 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.442 173.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.428 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 74.9 Cg_exo -50.44 -45.11 36.08 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.287 1.991 . . . . 0.0 111.61 174.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.09 -55.91 24.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.103 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 tp -58.53 -36.03 73.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.131 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.07 -51.69 62.85 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.895 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 85.8 mt -62.07 -42.83 99.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.161 -177.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 32.9 ttp -63.87 -31.83 73.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.546 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 67.8 m -85.0 -49.14 8.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.739 0.304 . . . . 0.0 111.0 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.585 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.2 mt -60.67 -54.31 46.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.411 -177.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.4 -33.31 84.16 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.592 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -64.78 -44.23 90.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.138 0.494 . . . . 0.0 109.846 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.05 -39.4 86.93 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.699 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 37' ' ' LEU . 89.9 t -59.5 -47.96 88.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.946 177.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.0 m -64.35 -32.7 74.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.726 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -64.88 -35.83 82.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.394 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.4 mm -76.04 -46.2 34.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.678 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 70.1 mt -61.42 -29.8 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.968 0.413 . . . . 0.0 111.289 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.66 -21.31 65.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.185 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -89.58 -8.63 52.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 0.0 110.392 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 47.8 t -83.64 133.64 46.28 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.371 176.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -41.91 129.7 4.17 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.29 2.66 . . . . 0.0 112.603 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -49.59 -39.83 36.74 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -170.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 56.2 m -57.75 -52.89 63.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 111.544 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -87.2 -9.93 53.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.062 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.99 -45.09 91.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.985 0.421 . . . . 0.0 110.655 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.8 t -67.21 -34.3 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.188 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.79 -48.53 45.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.503 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.6 m -65.73 -34.39 70.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -176.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.535 HG23 ' HG2' ' A' ' 65' ' ' LYS . 13.3 p -73.02 -35.07 47.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.524 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.503 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 32.6 t70 -67.33 -44.37 79.27 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -61.93 -36.97 82.95 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.319 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -61.14 -53.48 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.081 177.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 41.2 p -64.66 -35.06 79.8 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.129 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.2 -56.25 23.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.412 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.25 81.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.99 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.459 ' O ' HG22 ' B' ' 68' ' ' VAL . 13.6 mt -53.13 -63.04 1.28 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.408 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -65.6 -30.22 70.92 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.521 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.87 -48.89 77.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.821 0.343 . . . . 0.0 110.961 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.1 p -75.63 -26.96 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.66 -176.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.459 HG22 ' O ' ' B' ' 64' ' ' LEU . 59.2 t . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.709 0.29 . . . . 0.0 110.78 176.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.453 ' O ' HG22 ' A' ' 12' ' ' VAL . 10.6 t . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.51 -49.97 74.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.99 -33.22 72.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.912 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.551 ' O ' HG13 ' A' ' 15' ' ' ILE . 60.1 ttt85 -67.1 -45.2 77.94 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 8' ' ' SER . 80.1 t -55.38 -45.63 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.014 0.435 . . . . 0.0 110.489 178.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.89 -40.74 85.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.942 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 17' ' ' GLN . 55.9 mttp -79.32 -22.63 44.26 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 11' ' ' ARG . 81.8 mt -65.65 -46.4 89.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.478 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 67.6 mt -61.51 -42.69 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.894 175.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.472 ' HB3' ' HA ' ' A' ' 14' ' ' LYS . 54.3 tp60 -59.39 -48.65 80.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.138 177.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.91 -37.11 70.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.024 0.44 . . . . 0.0 110.555 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 97.7 mt -65.84 -42.57 90.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.609 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.5 mt -64.81 -37.7 88.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.746 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.91 -41.77 83.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.555 175.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.78 -44.41 93.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.095 0.474 . . . . 0.0 110.572 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 95.7 mt -61.59 -37.36 83.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.66 -178.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.79 -30.42 16.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.787 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -65.37 -38.66 90.72 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.992 0.425 . . . . 0.0 110.721 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HG3' HG12 ' B' ' 15' ' ' ILE . 78.8 mm-40 -83.15 -14.94 52.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.153 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 56.78 48.84 15.39 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.234 0.54 . . . . 0.0 110.848 -177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.766 ' HA ' HD23 ' A' ' 32' ' ' LEU . 34.6 m -70.77 140.9 17.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.894 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.513 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 9.5 p -92.01 168.44 13.0 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.737 173.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.513 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 93.5 Cg_exo -45.26 -58.31 1.67 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.948 2.432 . . . . 0.0 113.462 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.69 -40.32 94.57 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 111.216 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.766 HD23 ' HA ' ' A' ' 28' ' ' VAL . 58.6 tp -65.17 -47.1 78.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.378 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.92 -49.46 77.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.139 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.04 -37.81 83.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.3 ttp -65.55 -45.75 82.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.473 ' HA ' HG12 ' B' ' 16' ' ' ILE . 72.2 m -70.41 -45.46 65.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.181 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.8 mt -62.22 -44.06 97.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.697 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.59 -45.04 90.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.211 -0.519 . . . . 0.0 112.373 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -66.76 -36.29 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.998 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.62 84.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.683 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 37' ' ' LEU . 62.8 t -61.35 -40.92 87.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.595 178.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.2 m -55.32 -46.99 76.31 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 40.9 t30 -60.01 -43.22 95.38 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.719 0.295 . . . . 0.0 110.919 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -65.93 -47.84 83.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.092 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.515 HD12 ' HB ' ' A' ' 57' ' ' VAL . 58.6 mt -67.8 -30.16 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.823 0.344 . . . . 0.0 111.263 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.05 -23.71 67.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.969 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 72.7 mt-30 -82.03 -10.45 59.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.471 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 41.1 t -79.29 136.71 56.57 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.896 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.07 148.2 93.51 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.531 2.154 . . . . 0.0 112.78 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.438 ' CD ' HH21 ' A' ' 53' ' ' ARG . 3.4 tp10 -51.16 -33.06 25.35 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.573 -173.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -53.24 -43.3 67.21 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.774 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.51 ' HB3' ' HZ2' ' A' ' 52' ' ' LYS . 0.4 OUTLIER -124.57 2.74 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.808 -174.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.471 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 37.6 ttp180 -64.9 -34.42 78.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.821 -175.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.32 -30.48 8.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.381 0.61 . . . . 0.0 109.826 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -40.3 74.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.524 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.68 -40.4 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.515 ' HB ' HD12 ' A' ' 45' ' ' ILE . 7.3 p -70.06 -33.83 56.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.621 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -65.68 -47.53 75.14 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -61.77 -38.05 86.57 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.586 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.76 -51.31 70.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.175 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.589 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 51.7 p -65.64 -35.64 81.39 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.249 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -61.6 -50.28 73.22 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.339 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.28 90.49 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.469 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.19 -60.56 3.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.039 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -61.2 -37.21 82.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.105 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -59.78 -48.8 80.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.093 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 m -72.36 -26.91 62.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.439 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -77.68 -46.01 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.433 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 111.386 -177.348 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . 0.409 ' HA ' ' HB ' ' B' ' 12' ' ' VAL . 48.7 m-80 -59.4 -26.74 65.39 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.279 0.362 . . . . 0.0 111.145 -173.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -55.7 -56.19 23.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.966 0.412 . . . . 0.0 110.142 173.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.549 ' O ' HG13 ' B' ' 15' ' ' ILE . 64.8 ttt180 -69.23 -35.09 75.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.592 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.435 ' O ' HG13 ' B' ' 16' ' ' ILE . 78.5 t -55.77 -45.02 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.878 0.371 . . . . 0.0 110.08 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -72.05 -32.6 67.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.613 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -55.58 -45.37 77.39 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.549 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.0 mt -60.2 -47.38 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.345 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.473 HG12 ' HA ' ' A' ' 36' ' ' CYS . 64.5 mt -57.95 -49.28 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 178.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -65.11 -35.88 82.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.968 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -67.22 -42.77 83.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 109.827 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 96.2 mt -62.74 -43.72 98.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.589 176.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.536 HD21 HD11 ' B' ' 23' ' ' LEU . 95.9 mt -64.82 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.253 0.549 . . . . 0.0 110.252 176.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 4.0 t70 -69.2 -36.76 77.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.831 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.534 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 99.5 t -67.16 -38.61 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.255 173.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.536 HD11 HD21 ' B' ' 20' ' ' LEU . 85.7 mt -62.85 -35.76 81.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.006 178.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.74 -22.45 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.483 177.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.534 ' HD3' ' HA ' ' B' ' 22' ' ' VAL . 9.5 mtpm? -55.67 -51.8 66.03 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.979 0.418 . . . . 0.0 110.459 172.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.521 ' HG3' HG12 ' A' ' 15' ' ' ILE . 14.3 mm-40 -89.22 -8.26 53.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.054 -175.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 53.42 68.57 0.82 Allowed 'General case' 0 N--CA 1.463 0.192 0 O-C-N 124.025 0.828 . . . . 0.0 110.923 -172.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.663 ' HA ' HD21 ' B' ' 32' ' ' LEU . 32.4 m -81.8 137.95 20.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.458 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 40.4 p -83.56 168.05 24.67 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 74.2 Cg_exo -49.01 -47.53 21.34 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.256 1.97 . . . . 0.0 112.358 177.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.27 -52.95 63.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.224 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.663 HD21 ' HA ' ' B' ' 28' ' ' VAL . 59.5 tp -62.0 -41.29 97.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.104 -178.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.7 -51.75 68.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.357 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.72 -39.1 90.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.717 0.294 . . . . 0.0 111.094 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 47.8 ttp -66.12 -32.79 74.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.162 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 69.3 m -82.98 -46.56 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.883 0.373 . . . . 0.0 110.771 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.607 ' O ' HG23 ' B' ' 41' ' ' VAL . 94.0 mt -63.72 -52.81 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.443 -177.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.33 -30.32 73.8 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.074 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -69.31 -46.64 66.64 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.416 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -62.8 -39.99 95.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.824 177.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.607 HG23 ' O ' ' B' ' 37' ' ' LEU . 98.0 t -57.63 -49.54 80.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.099 176.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 41.1 m -61.61 -37.63 84.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -63.89 -33.14 75.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.004 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.416 HG12 ' O ' ' B' ' 40' ' ' ALA . 46.9 mm -79.41 -45.34 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.689 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.483 HG23 ' HG3' ' B' ' 53' ' ' ARG . 58.9 mt -63.42 -28.3 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.206 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -13.06 61.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.462 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -93.03 -2.6 55.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.299 0.571 . . . . 0.0 110.158 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -97.49 134.34 22.67 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.758 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.31 136.35 19.4 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.082 2.521 . . . . 0.0 112.282 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.459 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 24.6 mt-10 -58.48 -35.46 72.23 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -169.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 43.3 m -61.36 -26.18 67.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.773 0.32 . . . . 0.0 111.604 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -116.94 -3.97 11.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.945 0.402 . . . . 0.0 110.644 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.483 ' HG3' HG23 ' B' ' 45' ' ' ILE . 42.4 ttm180 -63.79 -42.18 97.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.55 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.46 -31.9 55.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.396 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.58 -46.52 46.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.487 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.46 -36.38 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.405 ' HB ' HD13 ' B' ' 45' ' ' ILE . 8.7 p -71.14 -36.98 64.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.407 178.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.18 -46.75 73.02 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -55.39 -41.11 72.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.623 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -61.64 -51.17 69.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.261 177.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.589 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 56.0 p -64.24 -37.95 89.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.491 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.11 -44.81 75.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.258 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.81 87.99 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.456 ' O ' HG21 ' B' ' 68' ' ' VAL . 40.3 mt -56.68 -54.74 42.66 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.546 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -52.96 -49.04 66.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.999 0.428 . . . . 0.0 111.042 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -61.47 -50.89 70.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.117 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 34.1 p -67.38 -27.97 67.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.456 HG21 ' O ' ' B' ' 64' ' ' LEU . 77.2 t . . . . . 0 C--N 1.327 -0.398 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -62.99 -32.54 73.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.255 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -53.96 -42.54 69.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.096 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.506 ' O ' HG13 ' A' ' 15' ' ' ILE . 72.0 ttt180 -72.97 -40.27 65.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.446 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 16' ' ' ILE . 83.5 t -55.89 -51.16 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.609 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -60.31 -37.68 81.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -65.96 -48.43 71.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.378 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 11' ' ' ARG . 70.8 mt -60.79 -42.23 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.562 0.22 . . . . 0.0 111.046 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.432 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.4 mt -59.9 -46.33 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 110.151 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.31 -40.98 97.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.434 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -39.34 93.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.41 -42.34 87.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.455 176.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 96.3 mt -63.11 -39.58 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.377 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -63.1 -31.26 72.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.0 -46.88 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.13 -37.14 84.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.3 t -75.38 -34.26 29.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.01 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HE3' ' HB3' ' A' ' 25' ' ' LYS . 2.2 tmmt? -63.25 -37.65 88.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.086 0.47 . . . . 0.0 110.029 177.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.526 ' HG3' HG12 ' B' ' 15' ' ' ILE . 70.3 mm-40 -79.29 -26.22 42.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.589 175.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 61.01 60.95 1.71 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.62 0.724 . . . . 0.0 109.607 -172.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.413 HG11 ' HB2' ' A' ' 26' ' ' GLU . 33.2 m -83.0 160.44 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.593 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 56.8 p -90.27 168.75 13.63 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 50.0 Cg_exo -54.05 -42.79 64.01 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.007 1.805 . . . . 0.0 111.2 172.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.76 -51.31 65.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.855 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD11 HG22 ' B' ' 12' ' ' VAL . 40.9 tp -63.44 -39.16 93.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.783 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.33 -53.11 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.948 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.98 -42.36 94.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.5 ttp -63.31 -42.06 98.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.963 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.6 m -70.52 -46.16 64.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.786 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.0 mt -61.29 -43.45 98.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.32 -45.2 94.54 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.461 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -67.78 -33.15 74.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.685 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.57 -42.76 91.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.68 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.0 t -65.24 -47.22 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 t -65.79 -24.72 66.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.228 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -76.89 -19.25 57.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.75 0.309 . . . . 0.0 110.975 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.4 mm -86.96 -43.09 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.239 0.542 . . . . 0.0 109.835 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.523 HG23 ' HG3' ' A' ' 53' ' ' ARG . 47.7 mt -69.72 -19.84 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.739 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.44 -9.49 58.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.739 0.304 . . . . 0.0 111.381 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -84.51 -13.99 50.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.383 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.514 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 27.6 m -100.47 159.95 28.29 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.674 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.514 ' HD2' ' HB ' ' A' ' 48' ' ' VAL . 13.8 Cg_endo -56.7 146.6 76.13 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.963 2.442 . . . . 0.0 112.027 177.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -53.96 -40.5 66.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.231 -173.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.4 m -57.38 -50.36 73.21 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.921 0.391 . . . . 0.0 111.257 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 56' ' ' VAL . 99.2 mttt -74.79 -29.88 61.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.956 0.407 . . . . 0.0 110.349 178.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.523 ' HG3' HG23 ' A' ' 45' ' ' ILE . 39.5 ttm180 -52.59 -48.55 66.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.678 -176.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.68 -43.64 90.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.582 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.27 83.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.987 0.422 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 52' ' ' LYS . 70.0 t -65.66 -49.07 80.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.51 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.0 p -66.87 -34.6 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.152 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -35.77 81.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.178 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -73.52 -39.93 64.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.88 0.372 . . . . 0.0 110.608 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -63.46 -46.79 84.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.405 HG23 HG22 ' B' ' 61' ' ' THR . 20.4 p -64.46 -34.84 79.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.085 -178.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -63.39 -48.37 78.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.325 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.88 75.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.196 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 68' ' ' VAL . 32.4 mt -61.79 -55.43 30.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.296 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -62.53 -36.68 83.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.795 0.331 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -60.6 -47.11 87.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.114 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 p -74.02 -32.62 63.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.558 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 64' ' ' LEU . 73.5 t -69.26 -44.93 80.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.693 0.282 . . . . 0.0 110.954 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.968 0.413 . . . . 0.0 110.625 178.695 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.404 ' O ' HG21 ' B' ' 12' ' ' VAL . 62.3 m . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -55.85 -44.35 77.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.423 -176.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -56.87 -46.95 81.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.468 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.599 ' O ' HG13 ' B' ' 15' ' ' ILE . 40.2 ttt85 -63.76 -49.67 72.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.887 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.518 HG22 HD11 ' A' ' 32' ' ' LEU . 91.0 t -58.86 -50.03 80.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.469 -178.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.403 ' HA ' HD13 ' B' ' 16' ' ' ILE . 38.3 mt-10 -67.15 -30.89 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.287 -177.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -68.25 -35.37 77.8 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.236 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.599 HG13 ' O ' ' B' ' 11' ' ' ARG . 65.9 mt -62.71 -46.91 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' B' ' 13' ' ' GLU . 53.0 mt -59.32 -47.2 91.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.357 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -62.36 -38.25 88.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.953 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.46 -36.14 71.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 110.211 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 98.3 mt -62.56 -46.34 88.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.886 173.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.474 HD22 HD11 ' B' ' 23' ' ' LEU . 96.4 mt -63.64 -31.66 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.359 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.77 -41.51 99.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.407 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.47 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 57.7 t -66.3 -33.18 61.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.185 0.517 . . . . 0.0 110.309 176.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.474 HD11 HD22 ' B' ' 20' ' ' LEU . 87.6 mt -67.75 -37.87 82.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 62.9 t -74.02 -35.6 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.063 0.459 . . . . 0.0 110.055 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 60.8 tttt -51.08 -45.91 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.86 174.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.436 ' HB2' HG13 ' B' ' 28' ' ' VAL . 46.6 mm-40 -92.08 -9.04 44.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.569 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 55.46 45.66 24.72 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.248 0.547 . . . . 0.0 109.884 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.443 HG23 HD23 ' B' ' 23' ' ' LEU . 34.1 m -63.89 151.44 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.185 -173.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 23.0 p -93.46 167.92 13.02 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.02 172.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 74.5 Cg_exo -50.53 -43.52 44.58 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.233 1.955 . . . . 0.0 112.185 176.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.77 -55.94 27.91 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.317 177.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.7 tp -67.22 -40.27 86.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.159 -174.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.12 -55.99 23.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.135 -177.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.1 -35.19 80.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.173 -176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttp -63.39 -48.51 77.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -69.95 -40.19 75.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.53 ' O ' HG23 ' B' ' 41' ' ' VAL . 80.8 mt -62.66 -44.59 95.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.675 0.274 . . . . 0.0 110.852 178.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.27 -44.33 96.59 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.66 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.447 ' HA ' HG21 ' B' ' 42' ' ' THR . 29.1 m-80 -66.03 -32.14 73.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.985 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.39 -43.53 77.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.369 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 37' ' ' LEU . 57.3 t -65.15 -46.92 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.447 HG21 ' HA ' ' B' ' 39' ' ' ASN . 12.2 t -67.2 -23.0 65.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.965 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -75.26 -39.53 59.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.185 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -69.39 -41.82 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.24 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.525 HD11 ' HB ' ' B' ' 57' ' ' VAL . 67.6 mt -66.48 -22.92 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.48 -1.8 47.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.293 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -99.65 -15.18 18.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.823 0.345 . . . . 0.0 111.086 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.466 ' HB ' ' HD2' ' B' ' 52' ' ' LYS . 30.1 m -94.95 153.22 39.94 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.528 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.481 ' HG2' ' HG2' ' B' ' 52' ' ' LYS . 9.9 Cg_endo -52.3 142.92 45.18 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.03 2.486 . . . . 0.0 111.915 177.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.492 ' HA ' ' CB ' ' B' ' 53' ' ' ARG . 32.2 mt-10 -63.59 -24.91 68.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.801 -174.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -56.73 -43.87 81.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.433 . . . . 0.0 110.609 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.481 ' HG2' ' HG2' ' B' ' 49' ' ' PRO . 19.4 ptpt -96.78 -15.86 21.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.561 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.492 ' CB ' ' HA ' ' B' ' 50' ' ' GLU . 42.1 ttm180 -57.86 -42.58 84.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.49 -175.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.95 -34.62 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.156 0.503 . . . . 0.0 110.34 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.33 -42.84 58.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.743 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.04 -35.65 75.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -176.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.525 ' HB ' HD11 ' B' ' 45' ' ' ILE . 7.1 p -76.62 -33.82 22.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.319 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' B' ' 62' ' ' LYS . 29.8 t70 -65.97 -44.21 85.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.919 0.39 . . . . 0.0 110.175 177.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -73.35 -29.28 62.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.033 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.57 -53.55 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.405 HG22 HG23 ' A' ' 61' ' ' THR . 24.3 p -65.16 -38.57 90.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.766 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.462 ' HB2' ' HE3' ' B' ' 62' ' ' LYS . 23.6 ttmt -56.91 -47.34 80.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.001 173.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.1 -32.79 72.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.391 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 58.0 mt -58.54 -49.48 77.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.679 0.276 . . . . 0.0 110.467 176.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -59.24 -42.77 91.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.867 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -61.04 -46.36 91.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.325 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.8 p -74.59 -30.34 61.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.758 -175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.661 0.267 . . . . 0.0 111.284 178.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.465 ' O ' HG21 ' A' ' 12' ' ' VAL . 32.6 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -56.1 -43.32 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.391 0.432 . . . . 0.0 110.571 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.88 -44.94 91.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.511 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.528 ' O ' HG13 ' A' ' 15' ' ' ILE . 74.1 ttt180 -66.26 -42.96 87.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.735 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 8' ' ' SER . 95.2 t -57.05 -48.46 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.703 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.2 -38.42 91.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.938 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -63.16 -42.42 99.41 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.635 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 11' ' ' ARG . 80.0 mt -62.12 -46.14 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.734 0.302 . . . . 0.0 110.513 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.46 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.6 mt -58.67 -46.01 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.276 177.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -65.33 -38.54 90.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.671 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -62.78 -40.68 98.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.247 0.546 . . . . 0.0 109.842 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.65 -43.24 90.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.596 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.6 mt -61.7 -35.23 77.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.632 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -59.2 -43.33 92.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.277 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.97 -43.61 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.076 0.465 . . . . 0.0 110.701 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.407 HD11 HD21 ' A' ' 20' ' ' LEU . 90.7 mt -62.07 -41.73 98.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.357 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.0 t -75.02 -33.11 28.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.083 0.468 . . . . 0.0 110.516 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 34.8 ttmt -60.33 -40.12 89.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.554 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.512 ' HG3' HG12 ' B' ' 15' ' ' ILE . 67.5 mm-40 -88.84 -7.43 56.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.87 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 52.36 53.13 12.86 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.766 -174.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.72 137.93 23.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.443 0.639 . . . . 0.0 111.645 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.497 HG21 ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -83.36 151.02 61.76 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.958 174.385 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.846 ' HB3' HG21 ' B' ' 48' ' ' VAL . 2.7 Cg_exo -36.35 -58.57 0.49 Allowed 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.919 3.08 . . . . 0.0 113.554 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.0 -52.8 59.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -59.61 -44.71 93.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.274 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.7 76.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.157 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 99.1 mt -59.33 -42.87 92.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.7 ttp -61.85 -44.3 97.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.6 m -68.89 -48.08 64.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.823 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.532 ' O ' HG21 ' A' ' 41' ' ' VAL . 98.0 mt -60.96 -42.42 98.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.82 96.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.915 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -66.82 -36.51 82.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.685 0.243 . . . . 0.0 111.092 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.95 -47.36 80.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.56 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 37' ' ' LEU . 48.3 t -60.87 -50.87 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.524 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.0 m -57.52 -29.94 64.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.778 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -75.84 -46.7 28.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.333 -0.229 . . . . 0.0 111.272 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 tt -74.71 -26.53 19.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.498 -174.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 41' ' ' VAL . 70.4 mt -65.53 -29.49 47.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.032 0.444 . . . . 0.0 110.308 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.1 -21.05 63.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -78.69 -24.2 45.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.947 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' B' ' 30' ' ' PRO . 19.4 t -72.08 135.98 82.31 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.557 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.91 139.16 78.87 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.821 2.347 . . . . 0.0 111.747 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -52.69 -35.41 55.38 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.337 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 t -54.81 -30.06 56.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.492 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HG3' HG13 ' A' ' 48' ' ' VAL . 20.2 ptmt -125.03 2.24 7.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.842 0.353 . . . . 0.0 111.072 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -68.73 -34.5 75.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.5 t -75.92 -40.8 38.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.28 93.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.761 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.33 -35.85 75.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.67 HG23 ' HG2' ' B' ' 65' ' ' LYS . 14.0 p -78.93 -35.53 17.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.84 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.76 -50.46 72.28 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.992 0.425 . . . . 0.0 110.168 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -67.21 -28.79 68.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.185 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -62.74 -52.63 62.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.043 0.449 . . . . 0.0 109.889 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.447 HG23 ' HG3' ' B' ' 65' ' ' LYS . 47.0 p -67.41 -31.54 71.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.848 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -60.63 -54.46 45.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.231 174.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.14 99.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.887 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 68' ' ' VAL . 16.8 mt -53.19 -68.78 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' B' ' 58' ' ' ASP . 53.7 mtmt -63.1 -38.49 91.38 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -172.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -64.83 -41.87 95.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.703 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.466 ' HG ' HG21 ' B' ' 42' ' ' THR . 10.9 t -70.57 -36.7 73.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.73 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 64' ' ' LEU . 74.9 t -66.83 -31.83 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 111.142 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.4 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.92 0.391 . . . . 0.0 110.582 176.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.405 ' O ' HG22 ' B' ' 12' ' ' VAL . 20.6 m . . . . . 0 N--CA 1.448 -0.535 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -63.63 -24.55 67.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.688 0.28 . . . . 0.0 110.469 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.34 -44.49 95.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.127 172.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.566 ' O ' HG13 ' B' ' 15' ' ' ILE . 31.9 ttt180 -73.1 -36.86 66.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.377 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.405 HG22 ' O ' ' B' ' 8' ' ' SER . 62.6 t -58.3 -44.3 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -61.61 -41.66 97.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.855 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -58.91 -50.03 75.56 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.738 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.3 mt -57.65 -48.25 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.764 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.54 -43.82 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.396 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -64.62 -38.65 91.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.131 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.91 -37.06 81.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.604 0.24 . . . . 0.0 110.839 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 94.8 mt -62.17 -48.26 80.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.954 0.407 . . . . 0.0 109.978 175.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.433 HD22 HD13 ' B' ' 23' ' ' LEU . 95.5 mt -65.3 -32.23 73.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.342 177.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -60.82 -44.53 96.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.646 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.63 -36.18 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.172 0.51 . . . . 0.0 110.427 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.55 HD23 HG23 ' B' ' 28' ' ' VAL . 81.7 mt -66.16 -36.49 83.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.712 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.424 HG21 ' O ' ' B' ' 20' ' ' LEU . 92.1 t -76.07 -38.33 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.267 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -52.24 -44.31 64.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.175 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.499 ' HG3' HG12 ' A' ' 15' ' ' ILE . 54.1 mm-40 -89.82 -13.95 35.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.026 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 50.65 57.14 6.95 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.394 0.616 . . . . 0.0 109.965 -170.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.55 HG23 HD23 ' B' ' 23' ' ' LEU . 22.4 m -70.6 161.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.362 -175.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 60.4 p -93.41 163.37 24.97 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.276 173.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.506 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 84.4 Cg_exo -48.71 -48.08 18.83 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.219 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.35 -43.93 93.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.982 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.91 -40.95 95.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.79 79.16 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.855 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 94.6 mt -59.09 -44.46 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.406 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 48.0 ttp -62.5 -39.92 95.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.261 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m -74.44 -49.17 23.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.758 0.313 . . . . 0.0 111.161 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.586 ' O ' HG21 ' B' ' 41' ' ' VAL . 96.8 mt -63.44 -50.27 70.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.65 -34.96 91.13 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.593 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' B' ' 35' ' ' MET . 22.4 t-20 -67.97 -41.55 82.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.471 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -63.93 -44.17 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.908 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.586 HG21 ' O ' ' B' ' 37' ' ' LEU . 94.3 t -56.73 -40.37 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.637 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.466 HG21 ' HG ' ' A' ' 67' ' ' SER . 54.7 m -59.59 -40.13 86.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.245 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -78.63 -22.84 46.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.247 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.471 HG12 ' O ' ' B' ' 40' ' ' ALA . 38.6 mm -74.31 -45.18 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.92 0.39 . . . . 0.0 110.34 177.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.522 HD11 ' HB ' ' B' ' 57' ' ' VAL . 77.8 mt -63.17 -26.97 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.793 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.72 -16.97 62.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -91.39 -25.59 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.24 0.543 . . . . 0.0 110.119 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.846 HG21 ' HB3' ' A' ' 30' ' ' PRO . 34.5 t -64.83 141.89 98.45 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.527 176.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.524 ' HB2' ' HG2' ' B' ' 52' ' ' LYS . 68.9 Cg_exo -39.49 125.84 1.43 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.177 2.585 . . . . 0.0 112.891 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.467 ' HA ' ' HG3' ' B' ' 53' ' ' ARG . 29.3 tt0 -54.48 -38.89 66.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.544 -171.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -62.45 -25.27 67.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.524 ' HG2' ' HB2' ' B' ' 49' ' ' PRO . 19.4 ptpt -110.38 2.32 18.96 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.842 -176.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.467 ' HG3' ' HA ' ' B' ' 50' ' ' GLU . 84.5 mtt180 -58.87 -42.65 89.94 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.609 0.242 . . . . 0.0 111.625 -176.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.61 -36.19 73.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.296 0.57 . . . . 0.0 110.524 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.24 -47.63 60.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.241 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.38 -34.19 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -176.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.522 ' HB ' HD11 ' B' ' 45' ' ' ILE . 12.3 p -73.89 -36.96 46.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.971 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.506 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 36.8 t70 -71.69 -43.32 66.17 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.208 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -62.86 -32.84 74.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.143 175.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -62.94 -51.69 65.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.685 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.4 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 50.2 p -65.11 -35.42 81.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.242 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.4 ' HZ1' ' CG ' ' B' ' 58' ' ' ASP . 13.9 mptt -58.91 -58.04 10.4 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.578 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.17 84.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.472 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.415 ' O ' HG22 ' B' ' 68' ' ' VAL . 9.3 mt -53.68 -66.41 0.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.425 177.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.67 ' HG2' HG23 ' A' ' 57' ' ' VAL . 41.5 mtmt -69.16 -19.33 64.0 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.349 -173.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -68.26 -43.81 77.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.985 0.422 . . . . 0.0 110.107 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.0 m -87.37 -18.82 29.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.623 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.415 HG22 ' O ' ' B' ' 64' ' ' LEU . 54.5 t . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -54.71 -38.2 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.716 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.74 -30.98 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.445 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.573 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.6 ttt-85 -69.64 -47.97 61.55 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.503 HG13 ' HG ' ' B' ' 36' ' ' CYS . 58.7 t -62.69 -39.48 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.446 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -55.39 -48.72 73.9 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.225 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -63.41 -45.31 91.57 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.491 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 11' ' ' ARG . 72.4 mt -56.47 -47.95 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.641 0.257 . . . . 0.0 110.826 -177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.87 -40.55 87.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.06 0.457 . . . . 0.0 110.171 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -62.81 -47.83 81.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.367 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.43 -44.93 85.06 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.903 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 82.4 mt -60.63 -52.4 65.33 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.253 0.549 . . . . 0.0 110.822 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.411 HD21 HD12 ' A' ' 23' ' ' LEU . 84.8 mt -65.25 -33.63 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.398 -178.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -62.66 -44.76 95.45 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.41 -43.03 93.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.28 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.411 HD12 HD21 ' A' ' 20' ' ' LEU . 98.7 mt -61.75 -47.3 85.84 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.083 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 20' ' ' LEU . 96.0 t -67.32 -38.34 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.832 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -58.12 -43.65 87.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.143 0.497 . . . . 0.0 110.658 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -79.56 -6.48 57.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.328 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.25 43.07 29.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.0 m -65.97 146.36 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.04 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 p -81.35 161.74 61.19 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.487 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 52.0 Cg_exo -53.82 -36.09 81.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 121.845 1.696 . . . . 0.0 110.971 174.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.45 -55.14 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.608 176.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.594 HD11 HG21 ' B' ' 12' ' ' VAL . 53.1 tp -62.72 -40.83 98.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.154 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.74 -45.06 95.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.291 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.5 mt -64.22 -37.59 88.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.727 0.298 . . . . 0.0 110.898 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.5 ttp -68.02 -30.12 69.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.762 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.3 m -81.71 -50.21 9.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.9 0.381 . . . . 0.0 110.592 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.8 mt -64.9 -50.24 67.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.561 -176.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.59 82.04 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.208 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -70.21 -42.15 72.7 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.437 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -61.91 -43.74 98.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.667 176.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 37' ' ' LEU . 78.2 t -57.48 -47.83 84.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.27 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.4 m -61.25 -35.63 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.93 -25.79 60.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.597 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 40' ' ' ALA . 40.0 mm -83.69 -45.0 18.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.025 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.452 HD13 ' HB ' ' A' ' 57' ' ' VAL . 64.7 mt -62.33 -26.86 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 121.089 0.471 . . . . 0.0 111.084 -178.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.2 -22.88 65.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.448 . . . . 0.0 110.892 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -93.04 -8.86 41.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.254 0.549 . . . . 0.0 110.449 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.605 HG23 ' HB3' ' B' ' 30' ' ' PRO . 58.3 t -79.16 136.01 57.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.662 178.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -59.23 140.81 96.45 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.681 2.254 . . . . 0.0 111.982 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.8 -32.7 20.82 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.156 -176.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 m -53.32 -31.38 43.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -129.73 5.67 5.08 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.268 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -61.19 -44.33 97.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 111.184 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.0 -33.74 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.507 0.67 . . . . 0.0 110.073 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.57 -45.55 68.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.354 -177.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.7 m -63.52 -41.32 92.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.452 ' HB ' HD13 ' A' ' 45' ' ' ILE . 7.1 p -70.93 -35.53 60.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.989 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.82 -43.69 65.16 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.245 178.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.69 -39.32 91.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.754 0.311 . . . . 0.0 110.304 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 63.5 t80 -57.44 -55.7 31.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.363 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.674 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 21.3 p -64.58 -38.57 91.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.707 -176.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -62.37 -57.84 9.84 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.079 0.466 . . . . 0.0 110.761 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.37 -36.95 83.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.164 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.531 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 1.2 tt -59.99 -51.48 69.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.197 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.655 ' HZ2' ' HB2' ' A' ' 65' ' ' LYS . 10.3 mtmp? -58.55 -46.11 87.54 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.264 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.84 -23.7 61.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.843 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 m -81.89 -17.92 45.55 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.239 0.543 . . . . 0.0 110.752 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.3 t -85.1 -42.19 16.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 174.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.443 177.527 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.517 ' O ' HG23 ' B' ' 12' ' ' VAL . 13.7 t . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.76 -32.48 65.65 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.2 0.313 . . . . 0.0 110.758 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -55.45 -54.24 46.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.168 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.545 ' O ' HG13 ' B' ' 15' ' ' ILE . 63.8 ttt180 -66.42 -43.46 85.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.033 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.594 HG21 HD11 ' A' ' 32' ' ' LEU . 91.9 t -55.7 -57.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.524 -177.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.48 ' HA ' HD11 ' B' ' 16' ' ' ILE . 38.6 mt-10 -73.05 -19.77 61.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.057 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -73.61 -36.33 65.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.112 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.552 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 88.5 mt -61.14 -46.26 96.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 174.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.48 HD11 ' HA ' ' B' ' 13' ' ' GLU . 63.5 mt -56.85 -46.72 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.411 175.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -57.46 -45.68 84.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.392 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.415 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.2 t0 -65.77 -37.13 85.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 86.5 mt -65.48 -46.4 79.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.089 0.471 . . . . 0.0 110.315 175.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 93.7 mt -61.68 -39.18 90.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.707 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.7 -41.66 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.879 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 99.9 t -60.49 -45.69 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.244 176.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.67 -44.34 97.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.402 HG22 ' O ' ' B' ' 20' ' ' LEU . 98.3 t -68.13 -42.5 85.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.073 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -58.46 -45.29 88.89 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.041 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 62.9 mm-40 -76.73 -11.44 59.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.7 -175.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 60.08 37.04 21.24 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.364 0.415 . . . . 0.0 111.039 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m -70.9 150.56 9.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.998 0.427 . . . . 0.0 111.309 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.8 p -79.11 156.7 76.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.576 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.605 ' HB3' HG23 ' A' ' 48' ' ' VAL . 61.5 Cg_exo -52.01 -49.09 18.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.589 2.193 . . . . 0.0 112.601 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.35 -39.59 93.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.104 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.416 HD11 ' HE2' ' B' ' 35' ' ' MET . 59.1 tp -67.03 -46.79 73.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.543 178.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.87 77.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.125 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.41 -37.65 86.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.416 ' HE2' HD11 ' B' ' 32' ' ' LEU . 55.2 ttp -62.42 -46.23 89.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 110.416 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.503 ' HG ' HG13 ' A' ' 12' ' ' VAL . 76.5 m -66.19 -43.85 85.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 178.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.444 ' O ' HG21 ' B' ' 41' ' ' VAL . 93.7 mt -60.91 -43.91 97.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.812 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.13 -41.72 94.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.464 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -43.63 96.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.679 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.445 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -58.58 -49.45 77.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.873 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.444 HG21 ' O ' ' B' ' 37' ' ' LEU . 61.0 t -59.62 -44.76 94.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 51.1 m -59.5 -34.45 72.61 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.508 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -75.93 -32.31 59.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.668 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.445 HG12 ' O ' ' B' ' 40' ' ' ALA . 46.2 mm -67.53 -43.94 86.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.015 0.436 . . . . 0.0 110.636 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 62.7 mt -68.93 -18.82 23.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.269 0.557 . . . . 0.0 110.663 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.4 59.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.296 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -81.99 -28.65 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.311 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.539 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 26.8 m -85.95 161.13 50.89 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.734 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' B' ' 48' ' ' VAL . 13.4 Cg_endo -57.66 147.13 81.56 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.795 2.33 . . . . 0.0 111.991 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.501 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 36.5 mt-10 -64.28 -26.55 68.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.198 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -58.31 -32.19 68.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.051 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.459 ' O ' HG21 ' B' ' 56' ' ' VAL . 19.2 ptpt -108.12 -8.62 15.76 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 120.432 -0.507 . . . . 0.0 112.028 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.501 ' NH1' ' HG2' ' B' ' 50' ' ' GLU . 92.6 mtt180 -57.31 -46.99 82.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 117.934 0.334 . . . . 0.0 111.268 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 39.5 t -70.79 -34.48 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.104 0.478 . . . . 0.0 110.34 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -46.79 69.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.508 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.459 HG21 ' O ' ' B' ' 52' ' ' LYS . 26.9 m -69.64 -40.4 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.366 -177.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -67.6 -34.28 67.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.114 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.69 -47.35 63.54 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.185 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -62.31 -35.63 79.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.284 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -58.43 -50.74 72.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.395 174.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.674 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 46.5 p -69.18 -37.53 78.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.59 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.12 -45.1 96.07 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.154 0.502 . . . . 0.0 110.047 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.53 -50.08 75.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.747 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.3 -52.27 46.72 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.35 0.406 . . . . 0.0 111.554 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -53.71 -52.85 58.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.773 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.85 -17.78 55.06 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -175.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 64.0 m -83.3 -26.94 30.17 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.201 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.607 0.242 . . . . 0.0 111.096 179.671 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -51.77 -43.64 63.07 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.222 0.326 . . . . 0.0 110.701 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -58.23 -43.22 87.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.941 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.499 ' O ' HG13 ' A' ' 15' ' ' ILE . 55.4 ttt180 -66.42 -45.53 79.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.58 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.411 HG22 HD11 ' B' ' 32' ' ' LEU . 47.8 t -59.59 -44.87 94.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.194 0.521 . . . . 0.0 110.013 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -56.9 -42.37 79.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.562 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -65.78 -49.3 68.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.252 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 11' ' ' ARG . 79.5 mt -56.87 -44.13 81.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.745 -178.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.482 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.0 mt -60.78 -40.36 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.221 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -64.77 -46.36 82.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.549 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -57.55 -38.47 74.82 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.994 0.426 . . . . 0.0 110.682 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 96.6 mt -65.0 -44.27 89.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.42 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 97.1 mt -63.05 -37.28 86.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.616 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.77 -43.83 90.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.71 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.82 -41.74 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.669 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 HG22 ' A' ' 28' ' ' VAL . 89.8 mt -60.58 -45.83 92.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.836 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.07 -39.75 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.03 0.443 . . . . 0.0 110.313 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -55.08 -34.31 63.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.586 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HG3' HG12 ' B' ' 15' ' ' ILE . 81.2 mm-40 -98.6 -9.9 24.15 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -177.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 55.3 46.94 22.52 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.411 0.624 . . . . 0.0 110.284 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.466 HG12 ' HB2' ' A' ' 26' ' ' GLU . 17.2 m -65.93 119.49 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.007 -175.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.517 HG23 ' H ' ' A' ' 32' ' ' LEU . 9.1 t -67.05 149.99 98.19 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 169.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -40.62 -44.3 4.5 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.131 2.554 . . . . 0.0 113.271 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -56.66 18.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.295 0.569 . . . . 0.0 110.295 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.517 ' H ' HG23 ' A' ' 29' ' ' THR . 60.5 tp -63.07 -42.99 99.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.704 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.05 -57.75 11.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.093 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.79 -33.22 75.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.201 -176.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.4 ttp -64.42 -49.08 72.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.661 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.2 m -67.5 -43.54 80.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.96 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.469 HD13 HG23 ' B' ' 41' ' ' VAL . 96.1 mt -61.09 -45.88 92.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.867 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.35 -45.92 93.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.759 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -68.54 -37.6 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.608 0.242 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -60.49 -49.89 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.563 177.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.593 HG13 ' CE2' ' A' ' 60' ' ' PHE . 78.8 t -61.69 -41.4 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.718 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.452 ' HA ' HG23 ' B' ' 68' ' ' VAL . 99.3 m -56.61 -44.77 81.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 178.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.537 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 59.1 t30 -65.94 -36.93 84.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.799 0.333 . . . . 0.0 110.567 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 40' ' ' ALA . 42.2 mm -63.42 -49.64 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.926 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.502 HG22 ' HG3' ' A' ' 53' ' ' ARG . 55.0 mt -73.33 -21.61 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.095 0.474 . . . . 0.0 110.934 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.56 -18.46 62.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.992 0.425 . . . . 0.0 110.859 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 69.1 mt-30 -83.36 -8.6 59.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.454 0.645 . . . . 0.0 109.902 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -91.85 127.53 49.54 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.55 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -51.67 136.75 50.28 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.878 2.385 . . . . 0.0 112.219 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.26 -21.92 37.77 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -175.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -59.9 -34.64 73.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.813 0.339 . . . . 0.0 111.148 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -125.47 15.96 8.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.103 0.478 . . . . 0.0 110.808 -177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.502 ' HG3' HG22 ' A' ' 45' ' ' ILE . 42.2 ttm180 -80.12 -36.57 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.909 -177.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.85 -39.48 84.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.26 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -49.76 76.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.444 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.5 m -71.19 -41.24 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 ' HG2' ' B' ' 65' ' ' LYS . 10.8 p -68.85 -32.93 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.255 -178.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -75.47 -36.31 60.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 110.495 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -72.12 -35.73 69.21 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.768 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.593 ' CE2' HG13 ' A' ' 41' ' ' VAL . 73.3 t80 -58.62 -54.62 45.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.401 0.62 . . . . 0.0 110.153 175.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.589 HG23 HG22 ' B' ' 61' ' ' THR . 16.7 p -68.08 -37.43 81.22 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.429 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.701 ' HB2' ' HZ2' ' A' ' 62' ' ' LYS . 4.5 ttmp? -56.3 -47.72 78.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.714 173.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.37 -36.67 79.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.315 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.479 ' O ' HG22 ' A' ' 68' ' ' VAL . 9.6 mt -55.78 -59.76 4.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.382 177.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HG2' HG23 ' B' ' 57' ' ' VAL . 58.7 mtmt -60.96 -35.26 76.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.002 -176.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.6 -48.63 76.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.099 0.476 . . . . 0.0 110.746 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -74.22 -9.94 59.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.519 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 64' ' ' LEU . 78.1 t -91.3 -46.86 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.343 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 89.5 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.054 0.454 . . . . 0.0 110.5 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.481 ' O ' HG22 ' B' ' 12' ' ' VAL . 35.3 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -56.68 -29.17 62.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.6 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -48.66 -52.8 21.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.616 174.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.581 ' O ' HG13 ' B' ' 15' ' ' ILE . 56.0 ttt180 -82.76 -33.44 27.41 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.834 -175.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.488 ' O ' HG13 ' B' ' 16' ' ' ILE . 91.3 t -56.52 -53.61 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.59 0.233 . . . . 0.0 110.464 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -67.43 -35.67 79.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.548 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -54.03 -48.95 69.97 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.142 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.581 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.0 mt -66.97 -41.15 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.985 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 12' ' ' VAL . 83.1 mt -58.42 -47.6 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.697 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -67.73 -36.17 80.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.764 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.9 -49.65 76.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.338 0.59 . . . . 0.0 109.765 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.19 -47.25 87.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.902 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 78.4 mt -62.21 -39.96 94.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -60.37 -43.61 96.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.53 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 91.1 t -57.41 -47.48 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.99 0.424 . . . . 0.0 110.472 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.34 -48.92 75.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.238 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.18 -35.65 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.027 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -59.5 -38.59 81.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.441 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -83.47 -11.83 57.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.392 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 59.2 41.55 20.05 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.493 0.496 . . . . 0.0 110.904 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.35 139.0 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.039 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.55 HG23 ' H ' ' B' ' 32' ' ' LEU . 5.8 t -70.99 147.3 93.81 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.379 175.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.52 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 98.3 Cg_exo -43.86 -41.86 11.99 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.195 2.597 . . . . 0.0 113.274 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -64.33 -47.0 81.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.03 0.443 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.55 ' H ' HG23 ' B' ' 29' ' ' THR . 62.4 tp -62.14 -40.85 97.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.369 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.61 76.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.666 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 84.5 mt -60.99 -40.62 94.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.976 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.4 ttp -63.64 -42.17 98.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.887 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.8 m -71.23 -48.74 49.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.657 0.265 . . . . 0.0 110.785 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.46 ' O ' HG22 ' B' ' 41' ' ' VAL . 96.8 mt -62.54 -38.51 90.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.057 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.14 -44.59 96.26 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.426 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.518 ' HA ' HG22 ' B' ' 42' ' ' THR . 30.9 m-80 -68.31 -32.09 71.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.803 0.335 . . . . 0.0 110.958 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.482 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -66.18 -49.02 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.469 HG23 HD13 ' A' ' 37' ' ' LEU . 71.1 t -65.53 -44.26 94.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.09 -178.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.518 HG22 ' HA ' ' B' ' 39' ' ' ASN . 14.7 t -65.25 -25.01 67.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.281 -175.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -84.11 -21.36 31.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.316 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.482 HG12 ' O ' ' B' ' 40' ' ' ALA . 49.1 mm -77.64 -42.3 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.703 175.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.517 HG22 ' HG3' ' B' ' 53' ' ' ARG . 54.4 mt -69.58 -20.12 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.435 0.636 . . . . 0.0 110.209 178.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.43 -4.05 49.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.219 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -90.88 -29.78 17.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.463 HG21 ' O ' ' B' ' 45' ' ' ILE . 32.5 m -80.11 152.81 74.34 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.38 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -57.67 148.42 74.06 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.996 2.464 . . . . 0.0 112.446 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.41 -9.64 43.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 111.358 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.6 t -74.04 -18.13 60.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.558 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.458 ' O ' HG22 ' B' ' 56' ' ' VAL . 28.6 mtpp -125.43 -15.5 6.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.706 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.517 ' HG3' HG22 ' B' ' 45' ' ' ILE . 39.4 ttm180 -57.72 -45.96 85.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.323 -171.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.9 t -71.52 -38.34 67.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.089 0.471 . . . . 0.0 110.156 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.46 88.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.753 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.458 HG22 ' O ' ' B' ' 52' ' ' LYS . 69.9 t -63.35 -47.41 92.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.544 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.488 HG23 ' HG2' ' A' ' 65' ' ' LYS . 8.6 p -68.15 -38.74 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.412 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.49 -46.61 79.05 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 109.973 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.11 -38.81 92.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.031 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.436 ' CE2' HG12 ' B' ' 41' ' ' VAL . 73.7 t80 -59.95 -56.32 23.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.057 176.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.589 HG22 HG23 ' A' ' 61' ' ' THR . 19.2 p -63.98 -41.17 97.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.972 -177.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' B' ' 62' ' ' LYS . 32.6 ttmt -56.73 -55.99 27.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.781 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.32 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.511 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.25 -45.43 93.33 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.34 0.4 . . . . 0.0 110.662 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.516 ' HG2' HG23 ' A' ' 57' ' ' VAL . 7.8 mtmp? -63.22 -36.79 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.196 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.62 -45.07 88.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.384 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 11.8 p -71.9 -28.94 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.284 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.452 HG23 ' HA ' ' A' ' 42' ' ' THR . 55.3 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.446 -0.631 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -46.41 80.57 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.321 0.582 . . . . 0.0 110.022 -176.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.35 -42.98 67.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.926 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.577 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.5 ttt180 -74.96 -41.88 58.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.995 -177.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 16' ' ' ILE . 93.6 t -55.85 -46.28 80.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 120.714 0.292 . . . . 0.0 110.673 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.35 -25.95 60.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -68.5 -38.99 81.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.015 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 11' ' ' ARG . 74.4 mt -62.91 -46.22 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.913 176.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.429 HG22 ' HB1' ' B' ' 40' ' ' ALA . 69.5 mt -58.13 -42.03 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.209 176.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -61.35 -46.98 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.674 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.29 -41.13 75.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.602 0.239 . . . . 0.0 111.167 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 HD12 HD23 ' B' ' 37' ' ' LEU . 78.7 mt -62.64 -46.38 88.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 110.455 177.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.407 ' O ' HG21 ' A' ' 24' ' ' VAL . 96.9 mt -60.87 -40.06 91.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.753 178.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.11 -43.59 82.45 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.096 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.6 t -61.71 -44.93 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.074 0.464 . . . . 0.0 110.76 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.06 -44.37 92.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.906 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 20' ' ' LEU . 98.7 t -69.78 -31.55 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.931 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -64.23 -36.18 83.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.837 0.351 . . . . 0.0 110.6 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.487 ' HB2' HG12 ' A' ' 28' ' ' VAL . 56.6 mm-40 -84.36 -16.55 42.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.791 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 57.77 53.98 6.62 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.182 0.515 . . . . 0.0 109.696 -173.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.487 HG12 ' HB2' ' A' ' 26' ' ' GLU . 35.2 m -76.29 145.03 11.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.606 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 32' ' ' LEU . 1.2 t -75.63 145.85 79.37 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 171.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -45.98 -39.67 19.88 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.025 2.483 . . . . 0.0 112.9 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.68 -50.09 73.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.022 0.439 . . . . 0.0 110.561 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.638 HD13 HG22 ' B' ' 12' ' ' VAL . 63.2 tp -63.87 -42.56 97.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.516 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.79 -52.55 64.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.075 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.17 -40.19 95.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.044 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.64 -38.63 91.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.769 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.6 m -73.2 -45.84 53.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.414 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.52 ' O ' HG21 ' A' ' 41' ' ' VAL . 94.9 mt -60.73 -42.68 97.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.187 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.81 -42.97 92.25 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.345 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -68.68 -38.18 80.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.648 0.261 . . . . 0.0 110.611 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -63.7 -46.93 83.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.75 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 37' ' ' LEU . 99.6 t -59.07 -49.47 83.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.355 178.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.6 m -58.86 -36.78 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.221 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -68.63 -36.21 78.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 110.574 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 40' ' ' ALA . 46.3 mm -72.18 -43.99 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.486 HG21 ' HG3' ' A' ' 53' ' ' ARG . 60.5 mt -64.58 -28.99 46.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.727 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -19.85 65.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.306 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -87.95 -11.82 46.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.419 . . . . 0.0 110.098 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.427 HG22 ' CB ' ' B' ' 30' ' ' PRO . 40.8 t -82.05 136.34 47.21 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.965 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -45.64 129.48 11.55 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.727 2.285 . . . . 0.0 111.527 173.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.525 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 26.2 tt0 -60.72 -29.4 69.33 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -169.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -63.38 -30.24 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.651 0.262 . . . . 0.0 111.535 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -112.68 8.81 19.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.146 0.498 . . . . 0.0 110.121 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.525 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 41.6 ttm180 -74.56 -42.25 59.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.994 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.46 -31.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.927 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.86 -52.57 35.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.273 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.4 m -64.27 -37.01 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.101 -175.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 p -72.73 -34.68 47.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.038 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -43.51 73.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.097 0.475 . . . . 0.0 110.232 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -64.88 -38.46 91.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.223 175.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -58.29 -52.3 66.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.438 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 24.8 p -65.33 -37.77 88.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.786 -177.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 62.0 tttm -64.88 -51.51 61.57 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 120.932 0.396 . . . . 0.0 110.615 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.12 83.23 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.934 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -55.23 -58.71 6.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.378 177.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 61' ' ' THR . 46.6 mtpt -58.86 -48.31 81.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.911 -172.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 4.4 pt20 -71.5 -29.38 64.73 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.043 -176.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 m -82.83 -16.55 47.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.136 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.8 t -91.1 -42.53 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.968 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.16 -178.317 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' HG21 ' B' ' 12' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -64.46 -24.26 67.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.623 -177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.5 -54.97 37.31 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.155 0.502 . . . . 0.0 109.732 174.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.523 ' O ' HG13 ' B' ' 15' ' ' ILE . 24.7 ttm180 -68.59 -48.42 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.152 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.638 HG22 HD13 ' A' ' 32' ' ' LEU . 87.7 t -53.7 -50.97 47.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 120.72 0.295 . . . . 0.0 111.537 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.81 -34.02 75.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.42 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -63.95 -46.85 82.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.935 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 11' ' ' ARG . 84.0 mt -55.0 -50.73 60.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.44 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.563 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 66.5 mt -58.76 -44.36 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.6 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -64.25 -45.22 89.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.264 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.423 ' O ' HG21 ' B' ' 22' ' ' VAL . 2.6 m-20 -61.86 -42.03 98.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.927 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 96.0 mt -60.74 -45.1 95.61 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.584 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 91.6 mt -60.13 -43.08 95.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.93 -35.03 79.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.842 0.353 . . . . 0.0 110.603 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' B' ' 25' ' ' LYS . 59.1 t -59.15 -40.39 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.471 175.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -71.81 -37.93 70.3 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.404 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.511 HG22 ' O ' ' B' ' 20' ' ' LEU . 98.8 t -67.2 -40.34 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.431 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 21.1 pttp -65.59 -24.45 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.306 . . . . 0.0 111.005 -177.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.617 ' HB2' HG11 ' B' ' 28' ' ' VAL . 74.6 mm-40 -91.36 -12.58 34.5 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.717 0.294 . . . . 0.0 110.569 177.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 56.34 42.23 28.02 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.535 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.617 HG11 ' HB2' ' B' ' 26' ' ' GLU . 32.9 m -67.34 150.09 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.401 -178.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.76 152.43 72.18 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 171.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.502 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 83.8 Cg_exo -48.69 -48.09 18.76 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.594 2.196 . . . . 0.0 112.489 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.94 -42.55 99.24 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.07 -44.32 92.76 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.671 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.85 91.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.994 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 84.8 mt -62.05 -40.54 96.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.456 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 49.5 ttp -62.58 -40.08 95.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.748 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 72.0 m -71.64 -47.34 55.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.009 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.543 ' O ' HG21 ' B' ' 41' ' ' VAL . 89.0 mt -60.8 -52.88 63.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.37 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.64 -34.49 89.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.584 -176.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' B' ' 35' ' ' MET . 10.1 t-20 -67.39 -36.69 81.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.221 0.534 . . . . 0.0 109.846 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.429 ' HB1' HG22 ' A' ' 16' ' ' ILE . . . -71.1 -43.88 66.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.636 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.543 HG21 ' O ' ' B' ' 37' ' ' LEU . 61.0 t -57.49 -38.75 65.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 178.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.8 m -59.31 -34.55 72.45 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.973 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -76.99 -38.95 52.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.354 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 40' ' ' ALA . 50.2 mm -64.25 -45.56 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.198 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.482 HG22 ' HG3' ' B' ' 53' ' ' ARG . 65.4 mt -66.11 -24.87 34.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 121.287 0.565 . . . . 0.0 110.634 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.37 -19.3 61.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -86.39 -4.2 59.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.275 0.56 . . . . 0.0 110.098 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.414 HG11 ' HG3' ' B' ' 52' ' ' LYS . 52.6 t -94.33 133.38 27.26 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.294 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -51.71 138.81 49.71 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.835 2.356 . . . . 0.0 111.947 176.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.542 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 19.8 mt-10 -62.15 -27.23 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -171.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 45.3 t -57.08 -35.49 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.389 . . . . 0.0 110.87 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.457 ' HZ2' ' HB3' ' B' ' 52' ' ' LYS . 0.7 OUTLIER -112.04 -8.69 14.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.104 179.508 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.542 ' HB3' ' HA ' ' B' ' 50' ' ' GLU . 41.9 ttm180 -62.68 -49.56 74.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 111.158 -177.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.09 -34.18 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.936 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.38 -49.72 58.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.062 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.55 -33.65 63.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -72.14 -41.02 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.893 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -38.69 89.61 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.918 0.39 . . . . 0.0 110.485 176.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -68.33 -39.99 81.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.707 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -60.2 -49.98 75.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.425 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 34.4 p -67.49 -34.18 76.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.086 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -68.86 -44.59 73.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.335 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.04 97.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.439 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 47.7 mt -58.11 -58.22 9.4 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 176.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -54.53 -48.61 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.726 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -65.79 -29.11 69.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 111.581 -176.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.2 m -93.08 -19.96 21.0 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 C--N 1.328 -0.356 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -178.885 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.451 ' O ' HG22 ' A' ' 12' ' ' VAL . 4.6 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -61.04 -45.02 96.47 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 -176.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -60.93 -33.63 73.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.441 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.476 ' O ' HG13 ' A' ' 15' ' ' ILE . 30.5 ttt85 -67.36 -43.96 80.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.792 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.48 ' O ' HG13 ' A' ' 16' ' ' ILE . 48.5 t -55.84 -50.34 69.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.338 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -57.45 -45.59 84.58 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.165 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.09 -49.03 79.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.177 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.507 HG12 ' HG3' ' B' ' 26' ' ' GLU . 63.6 mt -59.51 -44.33 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.815 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 12' ' ' VAL . 78.0 mt -59.5 -47.24 91.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.545 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -64.31 -39.35 93.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.983 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.7 t70 -68.67 -34.76 76.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.436 -178.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.438 HD13 HD22 ' B' ' 37' ' ' LEU . 99.0 mt -66.52 -47.9 71.46 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.166 0.508 . . . . 0.0 110.163 174.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.89 -28.44 69.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.439 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.49 ' HA ' HG12 ' A' ' 24' ' ' VAL . 13.4 t70 -68.69 -37.83 79.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.375 177.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 18' ' ' ASP . 66.6 t -60.53 -37.85 76.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.44 0.638 . . . . 0.0 109.602 175.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.97 -34.34 73.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.232 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 21' ' ' ASP . 3.6 p -82.53 -21.06 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 110.344 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 55.1 mttp -57.86 -39.96 79.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.203 0.525 . . . . 0.0 109.918 171.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.514 ' HB2' HG13 ' A' ' 28' ' ' VAL . 17.7 mm-40 -96.46 -25.64 15.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.834 -176.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 59.28 59.65 2.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.569 0.699 . . . . 0.0 109.681 -170.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.514 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.0 m -79.1 153.97 4.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.585 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 p -79.09 157.79 75.47 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.706 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.46 -42.19 56.41 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.471 2.114 . . . . 0.0 111.928 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.2 -51.54 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.965 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 HD11 HG22 ' B' ' 12' ' ' VAL . 52.3 tp -65.98 -41.88 90.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.675 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.04 -54.78 43.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.32 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.66 -35.6 78.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.319 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.1 ttp -66.52 -43.64 84.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.1 m -71.97 -42.55 66.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.883 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 41' ' ' VAL . 93.1 mt -61.08 -44.29 97.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.034 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.01 -43.8 93.07 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.607 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -62.41 -38.92 91.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 111.19 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.3 -38.49 90.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.616 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 37' ' ' LEU . 57.9 t -67.18 -49.5 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.809 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.8 m -61.32 -33.17 73.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.041 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -63.03 -30.02 71.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.04 0.448 . . . . 0.0 110.836 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -82.32 -42.68 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.308 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.519 HD12 ' HB ' ' A' ' 57' ' ' VAL . 68.1 mt -64.52 -32.78 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.302 -178.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.73 -10.85 51.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.842 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -91.19 -5.71 54.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.42 . . . . 0.0 110.7 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.479 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 17.0 t -90.36 139.99 26.94 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.677 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.67 148.18 90.2 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.122 1.881 . . . . 0.0 112.255 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.408 ' CD ' HH21 ' A' ' 53' ' ' ARG . 4.0 tp10 -59.68 -19.13 47.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.856 -170.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -63.34 -32.43 73.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.81 7.84 3.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.441 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 37.4 ttp180 -66.81 -37.95 85.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.998 0.428 . . . . 0.0 110.706 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -73.24 -31.31 33.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.201 0.524 . . . . 0.0 110.024 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.28 -44.3 72.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.553 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.41 -37.96 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.519 ' HB ' HD12 ' A' ' 45' ' ' ILE . 7.4 p -73.92 -29.22 25.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.883 0.373 . . . . 0.0 110.445 177.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.34 -52.08 37.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -60.6 -37.72 82.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.504 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.408 ' HE1' ' O ' ' B' ' 34' ' ' LEU . 64.8 t80 -57.46 -60.1 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.316 176.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.504 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 24.0 p -66.16 -36.79 84.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.39 -176.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.528 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 16.2 tptm -60.45 -56.05 26.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.964 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -30.39 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.573 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.43 -47.23 84.99 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.59 ' HG2' HG23 ' B' ' 57' ' ' VAL . 53.5 mtmt -66.9 -33.89 76.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.043 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 62' ' ' LYS . 78.2 mt-30 -62.9 -29.16 70.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 110.447 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -87.69 -20.7 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.248 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.7 t -93.69 -41.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.745 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -177.088 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -57.88 -38.43 75.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.753 0.311 . . . . 0.0 110.815 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' B' ' 10' ' ' GLU . 2.5 mp0 -57.87 -41.15 81.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.91 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.545 ' O ' HG13 ' B' ' 15' ' ' ILE . 51.2 ttt180 -74.35 -45.17 48.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.691 -176.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.43 HG22 HD11 ' A' ' 32' ' ' LEU . 59.0 t -57.95 -42.84 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.164 177.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.81 -51.09 70.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.866 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -59.25 -44.4 92.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.287 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 11' ' ' ARG . 71.7 mt -59.43 -46.85 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.694 0.283 . . . . 0.0 110.789 -177.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.3 -44.55 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.571 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.85 -47.85 81.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.766 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -43.04 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.316 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 96.0 mt -60.71 -43.36 97.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.562 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.4 -35.82 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.671 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -63.9 -45.27 90.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.662 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.86 -39.53 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.32 . . . . 0.0 110.81 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 19' ' ' LEU . 94.5 mt -59.49 -50.18 74.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.274 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -75.65 -24.99 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 110.46 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -66.87 -36.73 82.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.619 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.507 ' HG3' HG12 ' A' ' 15' ' ' ILE . 80.7 mm-40 -86.49 -6.06 59.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.557 174.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 59.88 41.31 18.06 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.449 HG12 HD13 ' A' ' 15' ' ' ILE . 30.5 m -64.76 147.93 12.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.495 ' OG1' ' HD2' ' B' ' 30' ' ' PRO . 12.7 t -99.03 152.96 37.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 172.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.495 ' HD2' ' OG1' ' B' ' 29' ' ' THR . 53.5 Cg_exo -34.07 -51.96 0.58 Allowed 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.795 2.997 . . . . 0.0 114.404 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.13 -56.86 15.98 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.128 0.489 . . . . 0.0 110.423 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -57.93 -40.61 80.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.159 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.21 -54.17 49.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.77 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.408 ' O ' ' HE1' ' A' ' 60' ' ' PHE . 90.6 mt -62.61 -41.66 99.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.861 -178.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.508 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 36.8 ttp -60.29 -46.65 89.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.982 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 90.4 m -69.93 -45.25 67.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.224 -0.191 . . . . 0.0 111.443 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.545 ' O ' HG21 ' B' ' 41' ' ' VAL . 80.5 mt -60.48 -52.88 63.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.591 0.234 . . . . 0.0 111.192 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.57 -33.01 86.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.374 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' B' ' 35' ' ' MET . 14.6 t-20 -67.54 -39.25 85.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.013 0.435 . . . . 0.0 109.941 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.49 -43.02 86.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.328 176.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.545 HG21 ' O ' ' B' ' 37' ' ' LEU . 90.2 t -57.15 -47.37 84.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.325 176.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 60.5 m -57.3 -39.73 76.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.05 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.444 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 0.2 OUTLIER -67.21 -39.39 86.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.067 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -65.84 -48.79 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.876 0.369 . . . . 0.0 110.734 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.498 HG23 ' HG3' ' B' ' 53' ' ' ARG . 59.5 mt -65.34 -26.32 39.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.038 0.447 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.61 -11.34 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.341 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.3 mt-30 -93.21 -10.63 35.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.233 0.54 . . . . 0.0 110.067 177.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.2 t -86.73 136.65 34.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.726 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -47.38 133.71 20.19 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.914 2.409 . . . . 0.0 112.303 176.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -53.63 -32.72 52.49 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.6 t -49.58 -53.15 25.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 111.207 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -102.14 2.39 37.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.293 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.498 ' HG3' HG23 ' B' ' 45' ' ' ILE . 42.4 ttm180 -64.05 -43.07 96.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.957 0.408 . . . . 0.0 110.512 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.8 t -70.31 -29.75 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.36 0.6 . . . . 0.0 110.272 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.3 -49.26 44.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.094 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.8 m -66.78 -34.81 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.643 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.59 HG23 ' HG2' ' A' ' 65' ' ' LYS . 13.5 p -72.55 -31.86 39.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.696 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.27 -44.01 69.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -62.76 -41.63 99.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.86 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.447 ' CE2' HG12 ' B' ' 41' ' ' VAL . 78.2 t80 -57.81 -52.93 63.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.489 0.662 . . . . 0.0 110.638 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.504 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 17.9 p -68.17 -35.14 77.56 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.337 -176.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.02 -45.38 81.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.189 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.03 98.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.445 ' O ' HG23 ' B' ' 68' ' ' VAL . 21.8 mt -54.21 -58.9 5.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.561 ' HZ1' ' HB2' ' B' ' 65' ' ' LYS . 10.1 mtmp? -62.53 -29.51 70.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.758 -178.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -67.02 -48.46 68.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.745 175.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 69.3 p -66.38 -32.3 73.6 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 111.267 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 64' ' ' LEU . 96.2 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.401 . . . . 0.0 110.105 175.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.6 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -59.87 -38.92 83.57 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -48.64 -49.0 39.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.871 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.566 ' O ' HG13 ' A' ' 15' ' ' ILE . 63.9 ttt180 -73.99 -41.3 62.13 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.789 -176.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 8' ' ' SER . 97.3 t -57.01 -50.34 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.905 0.383 . . . . 0.0 110.538 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.41 -38.94 93.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.926 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -63.94 -41.38 97.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 11' ' ' ARG . 88.0 mt -60.58 -42.04 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.25 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.524 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 70.9 mt -61.67 -41.67 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.04 176.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -62.52 -46.84 86.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.464 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.422 ' HB3' HG13 ' B' ' 22' ' ' VAL . 0.9 OUTLIER -53.17 -44.75 68.1 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.747 176.231 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 83.6 mt -64.27 -43.77 93.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.81 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 91.4 mt -60.23 -42.73 95.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.928 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -61.29 -38.85 88.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.224 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.8 t -60.99 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.199 0.523 . . . . 0.0 110.655 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 HD11 ' B' ' 44' ' ' ILE . 85.4 mt -67.8 -46.44 71.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.371 -176.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.36 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.556 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 33.3 ttpt -53.44 -41.19 65.84 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.405 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' HB2' HG12 ' A' ' 28' ' ' VAL . 9.6 mm-40 -91.7 -0.14 57.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.426 -176.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 52.31 44.78 29.47 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.613 -175.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 26' ' ' GLU . 33.5 m -65.93 136.9 25.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.37 0.605 . . . . 0.0 111.904 -175.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.13 154.87 63.88 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.362 173.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.438 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 96.3 Cg_exo -45.67 -48.19 12.5 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.061 2.507 . . . . 0.0 113.375 -177.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.2 -49.33 78.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.036 0.446 . . . . 0.0 110.66 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -65.18 -42.35 93.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.801 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.45 73.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.286 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.3 mt -62.79 -42.26 99.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -178.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 53.5 ttp -60.28 -41.74 93.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.862 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.9 m -72.99 -49.13 30.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.567 ' O ' HG22 ' A' ' 41' ' ' VAL . 94.5 mt -59.56 -52.25 66.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.69 -34.69 90.38 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.659 -177.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 35' ' ' MET . 5.5 t-20 -65.59 -43.83 88.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 109.87 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.91 96.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.795 178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 37' ' ' LEU . 83.9 t -58.61 -42.03 83.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 177.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.9 m -60.53 -36.3 78.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.195 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -72.91 -30.12 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.064 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.3 mm -69.73 -47.42 70.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.836 0.35 . . . . 0.0 110.076 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -70.39 -15.91 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.309 0.576 . . . . 0.0 110.543 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.604 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -71.82 -14.32 61.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.928 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -93.22 6.28 48.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.341 0.591 . . . . 0.0 110.276 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.568 HG11 ' HG3' ' A' ' 52' ' ' LYS . 45.3 t -111.19 118.21 48.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.81 -179.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.99 135.8 44.07 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.907 2.405 . . . . 0.0 112.475 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 2.2 mp0 -41.45 -39.55 1.53 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.7 t -46.4 -43.45 16.31 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.5 0.5 . . . . 0.0 111.466 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HG3' HG11 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -112.74 -5.4 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.941 179.313 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.604 ' NH1' ' HA ' ' A' ' 46' ' ' ALA . 18.8 ttm-85 -63.93 -48.63 75.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.558 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.56 -32.52 58.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.229 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -45.65 69.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.088 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.93 -37.49 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -177.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.57 HG22 ' HG2' ' B' ' 65' ' ' LYS . 12.5 p -70.88 -35.15 58.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.238 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 36.4 t70 -67.71 -48.69 65.82 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -59.89 -35.07 74.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.644 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -59.08 -54.79 43.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.2 0.524 . . . . 0.0 110.196 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.586 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 36.4 p -68.48 -36.5 79.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.629 -176.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -66.11 -39.51 90.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.971 0.415 . . . . 0.0 110.299 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.06 94.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.353 175.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.73 -47.28 82.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.292 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -57.91 -48.2 80.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.529 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -72.41 -17.92 61.76 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.064 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.521 ' HB3' HG21 ' B' ' 42' ' ' THR . 57.7 m -82.11 -42.31 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.677 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.5 t -73.42 -31.27 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.169 0.509 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.237 175.425 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -54.7 -41.06 69.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.037 0.446 . . . . 0.0 110.379 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' B' ' 14' ' ' LYS . 23.8 tt0 -50.56 -56.37 12.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.876 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.474 ' O ' HG13 ' B' ' 15' ' ' ILE . 15.7 ttt180 -66.34 -35.81 81.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.298 -173.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.416 ' O ' HG13 ' B' ' 16' ' ' ILE . 87.3 t -60.55 -53.48 48.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -67.11 -30.54 70.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.16 0.505 . . . . 0.0 110.34 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' B' ' 10' ' ' GLU . 28.2 tttt -60.99 -52.41 65.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.526 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.474 HG13 ' O ' ' B' ' 11' ' ' ARG . 79.5 mt -61.21 -43.4 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.649 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.416 HG13 ' O ' ' B' ' 12' ' ' VAL . 81.1 mt -58.15 -47.87 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.682 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -67.21 -38.76 85.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.342 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.82 -44.86 91.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.935 0.398 . . . . 0.0 109.931 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.2 -47.51 85.66 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.726 175.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.47 ' O ' HG23 ' B' ' 24' ' ' VAL . 81.0 mt -60.32 -38.35 83.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.278 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -63.09 -42.55 99.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.622 0.249 . . . . 0.0 110.739 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 18' ' ' ASP . 63.5 t -59.78 -43.02 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.081 0.467 . . . . 0.0 110.179 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.03 -43.06 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.111 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 20' ' ' LEU . 91.7 t -68.3 -37.2 77.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.772 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -58.13 -39.49 78.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.839 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.413 ' HB2' HG13 ' B' ' 28' ' ' VAL . 35.5 mm-40 -86.14 -11.14 53.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.056 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 54.33 49.88 17.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.542 -175.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.413 HG13 ' HB2' ' B' ' 26' ' ' GLU . 33.5 m -68.31 142.11 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.308 -178.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 45.9 p -77.01 160.11 77.0 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.273 175.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.439 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 68.6 Cg_exo -52.52 -40.58 71.78 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 121.941 1.76 . . . . 0.0 111.282 174.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.46 -52.55 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.147 176.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.39 -42.05 93.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.044 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.22 -52.33 65.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 80.8 mt -59.73 -38.17 80.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.149 -178.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttp -66.36 -44.62 82.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.898 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 61.3 m -71.14 -48.9 49.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.482 ' O ' HG21 ' B' ' 41' ' ' VAL . 88.8 mt -64.1 -40.13 95.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -178.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.61 -39.5 93.43 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.532 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -70.68 -37.59 73.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.624 0.25 . . . . 0.0 110.815 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.31 86.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.445 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.482 HG21 ' O ' ' B' ' 37' ' ' LEU . 73.7 t -61.52 -49.18 85.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.551 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.521 HG21 ' HB3' ' A' ' 67' ' ' SER . 89.6 m -56.28 -43.92 79.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 178.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 51.0 t30 -56.16 -38.48 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.12 -178.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.451 HD11 HD11 ' A' ' 23' ' ' LEU . 63.7 mt -83.11 -41.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.631 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.455 HG21 ' HB ' ' B' ' 57' ' ' VAL . 62.9 mt -64.43 -33.14 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.063 0.459 . . . . 0.0 110.782 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.25 -9.25 57.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.355 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.1 mt-30 -93.62 -6.48 46.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.434 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -88.13 144.83 34.99 Favored Pre-proline 0 N--CA 1.449 -0.476 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -174.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -40.54 119.69 0.8 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.613 2.209 . . . . 0.0 111.414 172.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.538 ' HA ' ' HG2' ' B' ' 53' ' ' ARG . 25.1 tt0 -49.07 -37.66 21.86 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.631 0.582 . . . . 0.0 112.045 -172.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.8 t -57.32 -29.41 63.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.017 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -118.49 -12.26 9.84 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.326 -0.55 . . . . 0.0 112.255 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.538 ' HG2' ' HA ' ' B' ' 50' ' ' GLU . 3.7 ptp180 -65.9 -30.76 71.41 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.364 -0.535 . . . . 0.0 110.1 -178.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 44.3 t -73.26 -32.53 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.272 0.558 . . . . 0.0 110.049 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.89 -45.3 58.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.775 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.486 HG21 ' HA ' ' B' ' 53' ' ' ARG . 34.6 m -67.49 -31.22 51.74 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.63 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.455 ' HB ' HG21 ' B' ' 45' ' ' ILE . 11.0 p -76.1 -34.73 27.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.917 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.18 -45.72 69.28 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -59.57 -42.46 92.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.174 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -56.81 -59.55 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.419 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.586 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 21.4 p -64.03 -36.62 84.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.654 -176.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 85.0 tttt -63.22 -56.26 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.402 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.36 80.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.624 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.74 -46.66 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.57 ' HG2' HG22 ' A' ' 57' ' ' VAL . 51.8 mtmt -69.14 -25.78 64.55 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.23 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 29.2 mt-30 -69.05 -43.06 75.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.069 0.461 . . . . 0.0 110.345 173.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 m -66.83 -32.78 74.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.668 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.847 177.874 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -57.5 -35.24 69.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 123.166 0.291 . . . . 0.0 110.742 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.15 -52.97 63.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.877 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.42 ' O ' HG13 ' A' ' 15' ' ' ILE . 28.4 tpt180 -54.38 -45.18 72.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.928 -177.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 16' ' ' ILE . 51.8 t -62.45 -57.59 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.168 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.94 -32.6 74.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.482 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 13.2 tmtt? -62.94 -49.49 74.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.26 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 11' ' ' ARG . 78.9 mt -61.68 -42.66 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.325 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 72.7 mt -60.41 -48.39 88.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.58 176.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -60.47 -40.34 90.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.367 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.2 -42.91 96.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.157 0.504 . . . . 0.0 109.795 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.69 -44.87 95.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.402 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.9 mt -60.22 -38.85 84.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.597 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -57.01 -46.32 82.42 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.544 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 80.7 t -57.55 -44.53 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.625 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.37 -49.45 69.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.219 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 20' ' ' LEU . 57.4 t -65.36 -37.28 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.863 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -67.75 -11.13 57.76 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 111.681 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.615 ' HB2' HG11 ' A' ' 28' ' ' VAL . 79.4 mm-40 -101.34 -7.19 23.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.557 0.217 . . . . 0.0 110.701 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 55.78 40.32 30.74 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.564 -173.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.615 HG11 ' HB2' ' A' ' 26' ' ' GLU . 33.9 m -64.61 145.61 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.152 0.501 . . . . 0.0 111.575 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 p -83.11 159.52 62.3 Favored Pre-proline 0 N--CA 1.445 -0.678 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 172.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.468 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 9.2 Cg_endo -53.5 -44.81 45.84 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.481 2.121 . . . . 0.0 112.177 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.76 -43.02 90.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.436 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.432 HD11 HG21 ' B' ' 12' ' ' VAL . 61.1 tp -62.49 -45.09 94.61 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.763 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' CB ' HD11 ' B' ' 44' ' ' ILE . . . -58.69 -42.81 89.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -178.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 86.0 mt -60.96 -40.74 94.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.2 ttp -64.3 -41.3 96.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.652 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.1 m -70.0 -49.96 46.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.001 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.512 ' O ' HG21 ' A' ' 41' ' ' VAL . 96.1 mt -61.09 -41.25 96.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.22 -41.03 92.62 Favored Glycine 0 C--N 1.329 0.159 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.599 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -76.02 -35.21 59.6 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.444 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.03 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.512 HG21 ' O ' ' A' ' 37' ' ' LEU . 58.9 t -60.47 -52.63 59.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.168 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.4 m -59.78 -35.44 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.306 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -60.34 -38.09 82.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.532 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 48' ' ' VAL . 16.0 tt -88.72 -25.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.899 -179.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 41' ' ' VAL . 55.9 mt -65.09 -32.61 59.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 121.271 0.558 . . . . 0.0 110.223 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.39 -16.53 62.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.984 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -86.34 -16.73 36.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.495 0.664 . . . . 0.0 109.842 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 44' ' ' ILE . 24.7 t -86.49 137.6 34.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.977 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.8 146.9 96.7 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.592 2.195 . . . . 0.0 112.523 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.533 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 3.0 mm-40 -54.23 -32.03 54.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.296 -175.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t -50.11 -33.63 19.36 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.578 0.549 . . . . 0.0 112.021 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -127.01 1.0 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.322 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.533 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 42.8 ttm180 -61.64 -45.96 91.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.917 0.389 . . . . 0.0 111.178 -178.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.89 -30.33 32.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.231 0.538 . . . . 0.0 110.304 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.2 -46.01 65.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.173 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' B' ' 34' ' ' LEU . 26.9 m -65.03 -37.48 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.683 -176.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.8 -33.93 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.772 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -69.37 -43.65 73.14 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.876 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -68.49 -35.66 77.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -61.95 -51.08 69.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.115 0.483 . . . . 0.0 110.283 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.8 p -65.27 -37.55 87.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.198 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -62.33 -49.45 75.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.121 0.486 . . . . 0.0 110.386 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.88 -39.31 84.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.502 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.7 mt -58.44 -55.15 38.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.181 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -55.62 -40.62 72.38 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.005 0.431 . . . . 0.0 111.151 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -68.54 -50.87 48.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.957 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 p -72.54 -28.87 63.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.821 -173.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.6 t -74.31 -49.27 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.599 0.238 . . . . 0.0 111.464 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--N 1.331 -0.211 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.34 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.475 0.178 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -58.31 -44.76 88.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.36 -43.23 95.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.721 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.522 ' O ' HG13 ' B' ' 15' ' ' ILE . 76.2 ttt180 -71.51 -40.04 70.41 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.067 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.458 ' O ' HG13 ' B' ' 16' ' ' ILE . 69.5 t -61.85 -43.79 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.66 -40.15 96.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.406 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' B' ' 11' ' ' ARG . 47.1 tttm -52.65 -55.48 22.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.318 175.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 11' ' ' ARG . 59.0 mt -55.6 -47.63 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.93 -178.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 12' ' ' VAL . 75.9 mt -58.06 -48.73 83.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -68.23 -34.65 76.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.025 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.522 ' O ' HG23 ' B' ' 22' ' ' VAL . 80.1 m-20 -64.94 -41.5 95.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.8 mt -61.34 -46.92 88.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.402 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.412 ' O ' HG23 ' B' ' 24' ' ' VAL . 91.1 mt -61.18 -38.37 86.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.32 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.04 -38.07 87.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.755 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.579 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 98.7 t -65.94 -38.06 81.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.272 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.586 ' HB2' ' CG2' ' B' ' 28' ' ' VAL . 4.0 pp -78.86 -22.11 46.55 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.139 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 20' ' ' LEU . 83.9 t -78.46 -36.01 19.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 171.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.579 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 79.0 tttt -50.73 -46.95 59.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.818 173.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -92.43 -11.2 35.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.602 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.25 66.35 1.25 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.05 -174.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.642 ' HA ' HD22 ' B' ' 32' ' ' LEU . 21.2 m -73.81 142.91 14.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.116 0.484 . . . . 0.0 110.969 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.52 HG21 ' HD2' ' B' ' 30' ' ' PRO . 0.0 OUTLIER -80.06 159.24 71.16 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 173.037 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.52 ' HD2' HG21 ' B' ' 29' ' ' THR . 94.8 Cg_exo -45.95 -52.22 7.32 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.854 2.369 . . . . 0.0 113.276 -178.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.03 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.642 HD22 ' HA ' ' B' ' 28' ' ' VAL . 60.5 tp -62.44 -41.07 98.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.34 -53.63 56.08 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.472 ' CD1' ' HB ' ' A' ' 56' ' ' VAL . 88.7 mt -61.54 -42.15 98.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.254 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.8 ttp -61.66 -43.86 98.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.31 . . . . 0.0 110.954 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 63.7 m -70.27 -46.69 63.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 0.0 110.706 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.58 ' O ' HG22 ' B' ' 41' ' ' VAL . 95.9 mt -60.87 -42.34 97.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.017 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.76 -43.8 86.8 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -70.16 -37.83 75.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.663 0.268 . . . . 0.0 110.608 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.06 92.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.858 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.58 HG22 ' O ' ' B' ' 37' ' ' LEU . 59.2 t -61.13 -52.48 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.064 177.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 30.7 m -61.12 -33.48 73.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.7 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -65.15 -37.27 86.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.149 -178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.459 HD11 ' CB ' ' A' ' 33' ' ' ALA . 19.8 tt -90.7 -22.1 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.931 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.44 HG13 ' O ' ' B' ' 41' ' ' VAL . 52.5 mt -67.57 -26.47 35.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.413 0.625 . . . . 0.0 109.518 171.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.74 -19.06 65.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.451 175.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -88.35 -1.54 58.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.219 0.533 . . . . 0.0 109.928 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 42.6 t -97.63 127.11 38.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.561 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -51.53 132.79 41.8 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.643 2.229 . . . . 0.0 111.715 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.528 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 3.0 mp0 -51.34 -31.36 21.63 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -174.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -52.66 -39.02 61.44 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.342 0.401 . . . . 0.0 111.513 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -114.52 -1.33 13.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.743 0.306 . . . . 0.0 110.745 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.528 ' HB3' ' HA ' ' B' ' 50' ' ' GLU . 40.4 ttm180 -62.71 -44.06 97.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.643 -178.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.15 -36.72 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.175 0.512 . . . . 0.0 110.182 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.27 -46.12 65.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.575 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.419 ' HB ' ' CD1' ' A' ' 34' ' ' LEU . 27.2 m -67.72 -39.14 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -175.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 p -70.91 -32.84 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.708 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -70.38 -48.3 56.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.624 0.249 . . . . 0.0 110.565 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -65.28 -29.75 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.237 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -61.69 -53.19 59.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 45.3 p -64.46 -33.83 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.818 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -62.49 -47.87 82.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 174.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.93 77.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.501 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.451 ' O ' HG21 ' B' ' 68' ' ' VAL . 73.9 mt -60.97 -58.6 7.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.948 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -59.12 -38.48 79.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.68 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -56.4 -60.13 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.266 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.3 m -63.16 -38.32 90.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.875 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.451 HG21 ' O ' ' B' ' 64' ' ' LEU . 71.3 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.898 0.38 . . . . 0.0 110.845 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.3 t . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 55.2 m-80 -58.09 -40.47 81.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.981 -177.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -56.46 -42.3 77.95 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.967 0.413 . . . . 0.0 110.877 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.459 ' O ' HG13 ' A' ' 15' ' ' ILE . 45.6 ttt180 -73.35 -36.97 66.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.502 -177.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 8' ' ' SER . 96.5 t -60.0 -46.09 94.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.362 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 9' ' ' ASN . 65.2 mt-10 -60.66 -37.29 81.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.441 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -66.25 -45.2 81.43 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.846 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 11' ' ' ARG . 71.6 mt -61.2 -45.74 98.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.916 0.389 . . . . 0.0 110.223 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.87 -46.64 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.647 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -62.67 -48.43 79.32 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.28 -44.42 79.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.282 0.364 . . . . 0.0 111.073 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.46 HD12 HD21 ' B' ' 37' ' ' LEU . 97.3 mt -62.82 -46.36 88.32 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 24' ' ' VAL . 86.9 mt -63.88 -37.04 85.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.66 -44.83 73.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.2 t -62.07 -46.47 96.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.758 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.442 HD12 HD21 ' A' ' 37' ' ' LEU . 91.5 mt -62.3 -44.84 95.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.045 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 20' ' ' LEU . 92.1 t -69.03 -37.25 76.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.385 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -56.8 -42.88 80.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.746 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -82.65 -12.26 57.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.76 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 56.55 47.6 18.28 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.204 0.526 . . . . 0.0 110.151 -174.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.12 137.05 25.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.624 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.5 155.21 81.52 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.73 173.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.442 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 84.0 Cg_exo -45.5 -51.18 8.34 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.983 2.455 . . . . 0.0 112.931 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.4 -47.3 85.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.285 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.56 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.802 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.79 -51.05 70.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.357 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.2 mt -59.28 -43.83 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.894 -178.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.0 ttp -61.99 -37.74 85.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.457 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.48 ' HA ' HG12 ' B' ' 16' ' ' ILE . 64.6 m -77.14 -46.94 21.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.509 ' O ' HG21 ' A' ' 41' ' ' VAL . 96.9 mt -60.67 -52.82 63.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.192 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.64 -35.43 89.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.733 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -66.99 -44.3 80.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.109 0.481 . . . . 0.0 110.21 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -64.88 -43.66 92.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.574 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 37' ' ' LEU . 84.9 t -62.1 -46.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.411 ' HG1' HG21 ' B' ' 68' ' ' VAL . 6.0 t -69.52 -20.76 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.136 0.493 . . . . 0.0 110.954 -173.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -82.98 -31.04 27.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.187 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 40' ' ' ALA . 45.4 mm -72.49 -38.59 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.039 0.447 . . . . 0.0 110.372 178.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.76 -16.88 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.378 0.608 . . . . 0.0 110.727 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.576 ' HA ' HH11 ' A' ' 53' ' ' ARG . . . -74.13 -9.8 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.025 178.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -100.1 6.87 44.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.304 0.573 . . . . 0.0 110.009 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.0 t -102.93 124.36 38.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.802 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -52.23 133.7 48.36 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.787 2.324 . . . . 0.0 112.813 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.493 ' HG2' HH21 ' A' ' 53' ' ' ARG . 5.4 mm-40 -44.34 -34.27 1.91 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.6 t -55.68 -26.36 44.47 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.773 0.32 . . . . 0.0 111.244 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -130.8 1.07 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.389 176.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.576 HH11 ' HA ' ' A' ' 46' ' ' ALA . 12.8 ttm-85 -63.13 -47.51 82.46 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.963 0.411 . . . . 0.0 110.21 -178.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.9 -29.9 47.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.292 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.0 41.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.85 -35.98 72.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.89 -36.19 72.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.658 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -72.11 -44.21 63.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.09 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.07 -38.74 80.15 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.545 176.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.49 -53.31 59.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.302 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.456 HG22 HG23 ' B' ' 61' ' ' THR . 30.8 p -67.76 -34.51 76.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.476 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -66.37 -43.88 84.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.513 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.68 95.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.867 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.528 ' O ' HG22 ' A' ' 68' ' ' VAL . 43.6 mt -57.06 -49.53 75.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.546 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -60.57 -35.17 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.035 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -66.84 -51.74 51.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.362 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.448 ' HB2' HG22 ' B' ' 42' ' ' THR . 26.1 p -69.98 -8.58 50.21 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 64' ' ' LEU . 69.9 t -88.91 -40.81 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.837 0.351 . . . . 0.0 110.264 172.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -53.45 -44.07 68.59 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.33 0.394 . . . . 0.0 111.527 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.36 -35.12 71.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.411 ' O ' HG13 ' B' ' 15' ' ' ILE . 78.1 ttt180 -74.59 -39.93 61.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.482 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.4 t -55.89 -51.46 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.52 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.5 -29.86 70.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.837 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -63.31 -41.76 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.052 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.425 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 72.6 mt -64.75 -45.02 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.061 178.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.48 HG12 ' HA ' ' A' ' 36' ' ' CYS . 71.5 mt -58.33 -45.29 89.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.342 176.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -65.51 -37.49 86.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.336 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.76 -40.96 97.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.855 0.359 . . . . 0.0 110.18 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 86.8 mt -60.42 -41.62 94.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.214 0.53 . . . . 0.0 109.88 175.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.03 -41.97 99.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.795 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.76 -41.72 96.04 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 93.9 t -59.77 -41.04 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.034 0.445 . . . . 0.0 110.334 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.489 HD21 HG21 ' B' ' 28' ' ' VAL . 85.7 mt -68.28 -42.34 79.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.086 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 86.8 t -69.6 -34.81 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.713 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -55.61 -43.33 75.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.787 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.512 ' HB2' HG13 ' B' ' 28' ' ' VAL . 72.0 mm-40 -90.89 -12.58 35.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.625 -178.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 57.86 47.53 15.09 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -175.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.512 HG13 ' HB2' ' B' ' 26' ' ' GLU . 33.2 m -70.53 147.97 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.974 -174.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 4.4 t -84.76 147.93 50.06 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.596 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.417 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 60.9 Cg_exo -41.24 -46.43 5.51 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.721 2.947 . . . . 0.0 113.795 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -58.08 -48.65 79.49 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.119 0.485 . . . . 0.0 110.975 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -65.87 -39.11 90.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.577 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.72 -51.03 70.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.942 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 91.8 mt -59.2 -42.69 91.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.557 -177.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttp -62.92 -43.03 99.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.019 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 61.9 m -72.98 -47.07 48.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.035 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.548 ' O ' HG23 ' B' ' 41' ' ' VAL . 95.4 mt -63.39 -47.79 80.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.73 -32.07 82.33 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.187 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -68.2 -41.66 81.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 109.71 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.63 -43.67 96.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.856 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 37' ' ' LEU . 60.5 t -56.62 -45.3 82.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.303 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.448 HG22 ' HB2' ' A' ' 67' ' ' SER . 91.2 m -58.96 -41.12 86.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.216 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -67.52 -29.58 69.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.037 0.446 . . . . 0.0 110.662 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 mm -74.93 -46.72 39.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.717 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.04 -32.48 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.075 0.464 . . . . 0.0 111.195 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.7 -26.24 68.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.328 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -87.03 -3.75 59.11 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -87.57 146.18 38.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.554 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.84 134.61 63.74 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 121.991 1.794 . . . . 0.0 112.065 173.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.55 ' HA ' ' HD3' ' B' ' 53' ' ' ARG . 20.1 tt0 -58.27 -26.19 62.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.445 -175.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 35.3 t -54.14 -29.84 46.74 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.733 0.301 . . . . 0.0 111.38 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.421 ' O ' HG22 ' B' ' 56' ' ' VAL . 0.1 OUTLIER -124.57 20.58 8.64 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.371 -0.206 . . . . 0.0 110.918 -179.482 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.55 ' HD3' ' HA ' ' B' ' 50' ' ' GLU . 0.0 OUTLIER -63.96 -45.16 90.39 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.0 0.429 . . . . 0.0 111.844 -175.222 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.32 -30.41 15.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.13 87.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.137 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.421 HG22 ' O ' ' B' ' 52' ' ' LYS . 17.1 m -65.74 -38.63 82.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -178.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.7 p -76.87 -34.22 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.946 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -45.2 80.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.583 0.23 . . . . 0.0 110.806 177.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.81 -42.32 99.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 110.565 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.56 -53.05 62.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.342 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.46 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 29.1 p -65.69 -43.25 89.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.482 -176.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 52.4 tttp -56.55 -55.27 35.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.77 76.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.129 -176.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 tt -70.39 -41.4 73.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.244 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' B' ' 61' ' ' THR . 68.3 mttm -57.99 -48.31 80.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.038 0.447 . . . . 0.0 110.486 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 20.5 mt-30 -62.09 -41.54 98.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.194 -177.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.0 m -68.71 -26.32 65.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.584 -176.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.411 HG21 ' HG1' ' A' ' 42' ' ' THR . 74.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.433 176.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 120.773 0.32 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -57.61 -42.61 83.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.57 -176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.03 -40.45 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.177 0.298 . . . . 0.0 111.133 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 15' ' ' ILE . 53.5 ttt85 -64.85 -47.95 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.292 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 16' ' ' ILE . 40.4 t -60.31 -45.39 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 110.13 178.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -56.83 -45.12 82.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.731 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -62.54 -43.44 98.81 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.081 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 11' ' ' ARG . 76.5 mt -58.02 -42.63 83.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.835 0.35 . . . . 0.0 110.205 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 12' ' ' VAL . 68.1 mt -59.89 -46.16 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.295 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -64.0 -40.75 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.918 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.67 -41.14 94.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.981 0.419 . . . . 0.0 110.76 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 79.1 mt -62.8 -41.18 99.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.084 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 98.1 mt -65.21 -35.68 81.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.509 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.86 -41.17 77.48 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.253 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.23 -45.94 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.716 176.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.66 -39.56 91.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.253 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.0 t -74.7 -30.38 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.741 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -59.6 -43.42 93.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.179 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -90.13 -16.9 28.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.762 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 56.53 54.67 7.2 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.588 0.709 . . . . 0.0 110.62 -174.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.72 156.65 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.157 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.7 p -79.0 159.75 72.71 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.554 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 70.7 Cg_exo -52.3 -40.38 70.35 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.203 1.936 . . . . 0.0 111.7 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -65.96 -50.18 65.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.839 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.6 tp -59.63 -38.11 80.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.43 77.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.625 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 85.8 mt -62.29 -43.99 97.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.03 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 52.9 ttp -63.31 -41.45 98.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.291 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.0 m -72.69 -49.52 30.89 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.955 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.57 ' O ' HG22 ' A' ' 41' ' ' VAL . 95.1 mt -63.13 -50.41 70.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.16 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.17 -36.05 91.79 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.359 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 35' ' ' MET . 14.8 t-20 -67.96 -41.55 82.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.177 0.513 . . . . 0.0 109.815 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.38 93.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.767 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 37' ' ' LEU . 98.6 t -58.36 -45.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.189 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.2 m -57.96 -42.96 86.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.931 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -61.26 -36.96 81.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.203 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.52 -46.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.832 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.517 HG23 ' HB ' ' A' ' 57' ' ' VAL . 73.0 mt -63.73 -29.15 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.033 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.12 -22.49 66.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.183 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -86.98 -3.32 59.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 110.624 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.717 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 48.0 t -85.66 136.66 36.74 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.44 133.55 43.57 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.087 1.858 . . . . 0.0 113.014 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.524 ' CD ' HH21 ' A' ' 53' ' ' ARG . 5.4 tp10 -32.99 -52.02 0.32 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.314 -1.312 . . . . 0.0 113.546 -179.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -55.13 -31.47 61.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.292 -172.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.7 6.75 10.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.944 0.402 . . . . 0.0 110.714 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.717 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 23.0 ttp180 -81.83 -37.6 26.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.147 -173.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.19 -35.97 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.311 0.576 . . . . 0.0 110.082 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.71 -49.42 68.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.432 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.37 -37.85 80.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -175.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.517 ' HB ' HG23 ' A' ' 45' ' ' ILE . 11.1 p -70.28 -36.28 66.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 120.753 0.311 . . . . 0.0 111.374 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -77.54 -40.74 41.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.346 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -62.17 -39.85 94.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.476 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -54.47 -57.55 10.9 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.573 0.701 . . . . 0.0 110.263 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.588 HG21 HG21 ' B' ' 61' ' ' THR . 4.0 p -68.66 -35.1 76.79 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.941 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -66.44 -46.79 75.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 110.393 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.92 -30.94 71.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 tt -69.38 -41.19 76.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.225 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 61' ' ' THR . 10.9 mmmm -57.6 -44.3 85.34 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.074 0.464 . . . . 0.0 109.967 175.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.06 -42.74 84.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.244 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 p -77.41 -3.82 42.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.441 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.2 t -95.26 -30.86 4.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.955 0.407 . . . . 0.0 110.234 170.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 94.8 mt . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.462 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.407 ' O ' HG23 ' B' ' 12' ' ' VAL . 2.6 p . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -58.06 -37.53 74.61 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.697 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.18 -33.54 74.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.526 ' O ' HG13 ' B' ' 15' ' ' ILE . 68.8 ttt180 -76.81 -45.78 27.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.277 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 8' ' ' SER . 94.1 t -57.19 -46.91 84.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.947 0.403 . . . . 0.0 110.569 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.82 -39.75 90.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.233 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -64.77 -41.48 95.83 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.165 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.526 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.7 mt -62.78 -49.21 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.986 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.412 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 68.9 mt -58.63 -44.2 89.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.23 0.538 . . . . 0.0 110.503 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -64.19 -43.89 93.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.586 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.456 ' O ' HG22 ' B' ' 22' ' ' VAL . 3.5 t70 -60.79 -42.75 98.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.785 -177.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.79 -43.1 90.37 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.279 0.561 . . . . 0.0 110.336 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.536 ' O ' HG23 ' B' ' 24' ' ' VAL . 99.2 mt -61.17 -45.8 93.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.123 177.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -56.43 -35.67 68.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.246 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.457 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 77.1 t -63.83 -47.85 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.334 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.42 ' C ' HD12 ' B' ' 23' ' ' LEU . 4.2 pp -78.4 -16.51 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.359 -178.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 20' ' ' LEU . 25.6 t -71.48 -40.21 71.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.642 176.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 14.9 pttm -74.43 -22.97 58.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.413 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 39.2 mm-40 -83.6 -23.95 31.7 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.935 174.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 58.67 61.25 2.26 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.841 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.17 149.15 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.295 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.459 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 31.8 p -90.08 168.13 15.31 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.362 174.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.459 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 77.7 Cg_exo -51.0 -47.01 27.64 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.295 1.997 . . . . 0.0 111.916 177.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.07 -46.71 88.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.617 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 48.4 tp -69.74 -39.59 76.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.01 -175.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.6 -50.89 72.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.95 -40.85 98.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.031 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 44.1 ttp -66.72 -41.1 88.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.823 -175.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 21.2 p -76.61 -43.54 38.05 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.858 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.524 ' O ' HG21 ' B' ' 41' ' ' VAL . 92.5 mt -62.53 -41.15 98.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.601 0.239 . . . . 0.0 111.091 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.23 -43.53 97.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.637 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.589 ' HA ' HG23 ' B' ' 42' ' ' THR . 31.9 m-80 -73.2 -23.69 60.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.254 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.99 -32.41 69.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.964 0.411 . . . . 0.0 110.26 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.524 HG21 ' O ' ' B' ' 37' ' ' LEU . 66.0 t -77.28 -45.84 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.769 -177.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' THR . . . . . 0.589 HG23 ' HA ' ' B' ' 39' ' ' ASN . 7.8 t -60.49 -33.77 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.93 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -64.77 -32.74 74.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.84 0.352 . . . . 0.0 110.533 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -79.58 -48.26 21.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.809 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.424 HG21 ' HG3' ' B' ' 53' ' ' ARG . 58.5 mt -67.03 -28.51 43.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.482 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.5 -12.5 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -91.35 -13.55 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.351 0.596 . . . . 0.0 110.025 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 47.6 t -81.62 133.79 52.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.607 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.692 ' HB2' ' HD3' ' B' ' 52' ' ' LYS . 84.6 Cg_exo -46.74 130.2 15.09 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.08 2.52 . . . . 0.0 112.601 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.616 ' HG2' ' CZ ' ' B' ' 53' ' ' ARG . 22.1 mt-10 -56.75 -31.65 64.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.989 -173.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -56.43 -28.23 58.89 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.466 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.692 ' HD3' ' HB2' ' B' ' 49' ' ' PRO . 0.0 OUTLIER -125.11 4.14 7.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.801 0.334 . . . . 0.0 110.874 177.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.616 ' CZ ' ' HG2' ' B' ' 50' ' ' GLU . 42.5 ttm180 -64.68 -35.31 80.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.382 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 48.8 t -64.26 -34.69 70.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.764 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.34 -47.89 53.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.327 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.84 -37.08 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -176.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.511 HG21 ' HD2' ' A' ' 65' ' ' LYS . 12.7 p -70.64 -35.48 61.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 110.739 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.81 -45.75 67.22 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -57.38 -44.69 84.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.045 176.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.43 ' CE2' HG13 ' B' ' 41' ' ' VAL . 87.9 t80 -57.32 -54.3 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.582 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.588 HG21 HG21 ' A' ' 61' ' ' THR . 10.2 p -68.21 -35.4 77.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.558 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -61.17 -54.57 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 174.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.22 -33.74 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.15 -49.19 68.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.44 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' B' ' 61' ' ' THR . 62.0 mttm -57.54 -45.97 84.45 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.19 0.519 . . . . 0.0 109.779 176.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -57.5 -49.59 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.348 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.0 m -68.24 -39.25 82.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.75 -174.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 69.4 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.661 0.267 . . . . 0.0 111.193 -178.688 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.6 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -58.49 -34.43 70.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.668 0.271 . . . . 0.0 110.449 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -64.85 -30.16 71.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.821 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.495 ' O ' HG13 ' A' ' 15' ' ' ILE . 54.6 ttt180 -76.77 -35.95 57.37 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 16' ' ' ILE . 60.8 t -58.74 -47.93 87.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 176.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.533 177.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -69.05 -47.88 64.23 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.739 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 11' ' ' ARG . 77.6 mt -58.58 -38.38 70.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.804 0.335 . . . . 0.0 110.663 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.478 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 73.6 mt -62.81 -41.18 91.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.081 175.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.33 -43.1 87.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.86 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.17 -48.88 70.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.05 0.452 . . . . 0.0 110.25 175.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 90.1 mt -64.76 -45.28 87.04 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.094 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 71.9 mt -61.57 -34.43 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.833 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.549 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 17.9 t70 -63.46 -40.99 98.59 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.395 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.437 HG13 ' HB3' ' B' ' 18' ' ' ASP . 61.1 t -58.02 -40.19 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.508 0.671 . . . . 0.0 110.455 176.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.474 HD22 HG22 ' A' ' 28' ' ' VAL . 84.2 mt -74.52 -37.08 63.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.398 -178.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.483 HG13 ' HA ' ' A' ' 21' ' ' ASP . 2.3 p -77.17 -23.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.339 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 56.4 mttp -52.13 -47.19 65.48 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.242 0.544 . . . . 0.0 109.764 170.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.516 ' HG3' HG12 ' B' ' 15' ' ' ILE . 8.4 mm-40 -98.85 -10.84 22.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.969 -173.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 52.76 53.36 12.28 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.25 0.548 . . . . 0.0 109.803 -172.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.474 HG22 HD22 ' A' ' 23' ' ' LEU . 34.3 m -61.74 148.76 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.166 -174.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 40.9 p -81.94 164.77 47.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.651 174.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.436 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 71.1 Cg_exo -50.51 -47.33 25.16 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.432 2.088 . . . . 0.0 112.696 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -66.8 -41.76 87.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.836 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.6 tp -66.36 -42.42 88.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.482 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.64 -55.37 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.105 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.464 HD21 HG11 ' B' ' 41' ' ' VAL . 72.7 mt -64.11 -37.35 87.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.158 -175.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.9 ttp -64.98 -42.43 94.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.933 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.3 m -67.34 -43.68 80.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.46 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.3 mt -61.44 -44.66 96.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.73 -43.07 86.66 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.003 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -67.89 -38.38 82.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.707 0.289 . . . . 0.0 110.623 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.42 -46.27 89.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.768 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 37' ' ' LEU . 54.6 t -60.64 -48.18 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.627 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.1 m -58.85 -37.39 76.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.7 -39.01 92.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.561 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -70.85 -44.9 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.493 HG22 ' HB ' ' A' ' 57' ' ' VAL . 62.2 mt -67.2 -23.95 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.357 0.599 . . . . 0.0 111.059 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.474 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -73.06 -10.39 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.281 178.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -97.38 0.28 47.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.221 0.534 . . . . 0.0 110.461 178.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.528 ' HB ' ' HG3' ' A' ' 53' ' ' ARG . 25.9 t -93.13 132.65 30.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.835 -177.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -61.93 129.24 26.74 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.356 2.037 . . . . 0.0 111.845 174.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -33.17 -44.99 0.13 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.517 1.127 . . . . 0.0 113.891 177.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 t -51.04 -23.15 2.78 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.536 0.523 . . . . 0.0 111.866 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.446 ' HG3' ' CG1' ' A' ' 48' ' ' VAL . 20.9 ptmt -135.26 1.96 2.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.198 176.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.528 ' HG3' ' HB ' ' A' ' 48' ' ' VAL . 20.7 ttm-85 -71.94 -40.95 68.35 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.104 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.3 t -70.71 -34.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.216 0.532 . . . . 0.0 109.841 -178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.33 68.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.341 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.3 m -68.06 -37.29 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.719 HG22 ' HG2' ' B' ' 65' ' ' LYS . 10.1 p -70.7 -39.2 75.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.092 -177.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.517 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 7.2 t70 -74.13 -36.55 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.38 -39.91 92.41 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.259 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -59.13 -49.84 76.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.194 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.595 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 65.5 p -67.46 -29.09 68.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.015 -179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -67.18 -51.34 54.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.738 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.47 77.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 68' ' ' VAL . 22.5 mt -58.2 -55.8 30.33 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.234 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' O ' HD11 ' A' ' 69' ' ' LEU . 97.1 mttt -64.97 -27.54 68.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.883 0.373 . . . . 0.0 111.082 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -71.06 -39.93 71.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.821 0.344 . . . . 0.0 110.58 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 p -80.81 -36.45 31.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.258 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 64' ' ' LEU . 71.2 t -66.01 -28.31 43.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 120.931 0.396 . . . . 0.0 110.906 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.447 HD11 ' O ' ' A' ' 65' ' ' LYS . 9.8 mp . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 121.014 0.435 . . . . 0.0 110.666 174.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.441 ' O ' HG23 ' B' ' 12' ' ' VAL . 26.1 t . . . . . 0 C--O 1.237 0.411 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -61.41 -35.34 77.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -54.18 -48.74 70.62 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.353 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.607 ' O ' HG13 ' B' ' 15' ' ' ILE . 60.1 ttt180 -65.07 -42.78 93.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.51 -177.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 8' ' ' SER . 61.6 t -58.28 -51.63 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.218 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -62.04 -34.73 76.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.593 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' B' ' 14' ' ' LYS . 37.9 ttmt -70.8 -37.94 73.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.961 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.607 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.5 mt -62.7 -45.65 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.077 0.465 . . . . 0.0 110.232 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.517 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 64.6 mt -57.39 -38.24 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.283 177.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.88 -42.66 80.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.106 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.437 ' HB3' HG13 ' A' ' 22' ' ' VAL . 4.2 t70 -63.6 -35.35 80.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.103 0.477 . . . . 0.0 109.813 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.97 -43.67 95.04 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.366 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 97.7 mt -63.65 -43.12 97.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.713 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -50.56 -44.21 56.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.005 0.431 . . . . 0.0 110.602 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.87 -48.97 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.213 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.49 -43.85 96.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.435 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -71.89 -29.46 33.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.676 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -61.26 -38.36 86.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.463 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.646 ' HB2' HG11 ' B' ' 28' ' ' VAL . 52.0 mm-40 -87.99 -19.15 27.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.488 -177.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 60.79 41.9 14.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -173.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.646 HG11 ' HB2' ' B' ' 26' ' ' GLU . 29.5 m -58.3 145.54 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.935 -173.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.523 HG21 ' HD2' ' B' ' 30' ' ' PRO . 0.2 OUTLIER -80.28 148.77 67.79 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.003 173.309 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.587 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 80.5 Cg_exo -46.82 -48.91 13.22 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.724 2.283 . . . . 0.0 113.012 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.28 -44.48 95.33 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.101 0.477 . . . . 0.0 110.62 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.0 tp -64.83 -44.27 90.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.71 83.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.817 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 83.5 mt -61.01 -42.63 98.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.095 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.502 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 53.3 ttp -64.72 -43.2 94.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 70.8 m -73.7 -44.47 56.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.498 0.189 . . . . 0.0 111.392 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.494 ' O ' HG23 ' B' ' 41' ' ' VAL . 95.4 mt -66.73 -46.59 74.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.551 0.215 . . . . 0.0 111.083 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.2 -32.86 85.59 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.261 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' B' ' 35' ' ' MET . 11.0 t-20 -66.94 -34.73 78.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.379 0.609 . . . . 0.0 110.018 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.29 -30.42 66.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.108 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 37' ' ' LEU . 91.5 t -68.34 -48.46 72.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.882 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -71.65 -19.13 62.14 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.92 -176.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -69.84 -43.83 71.15 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.23 -41.75 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.61 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.34 -25.67 35.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.411 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.73 -16.78 61.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.879 0.371 . . . . 0.0 111.159 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -85.81 -24.54 26.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.521 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.524 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 35.6 m -95.42 161.73 26.92 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.254 178.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.524 ' HD2' ' HB ' ' B' ' 48' ' ' VAL . 38.6 Cg_endo -67.53 153.42 76.49 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.81 2.34 . . . . 0.0 112.813 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' B' ' 53' ' ' ARG . 1.8 mp0 -55.96 -30.43 61.71 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.102 -177.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -60.27 -16.17 31.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.518 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -112.66 -22.38 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.107 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' B' ' 49' ' ' PRO . 99.1 mtt180 -59.16 -59.71 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.822 -175.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.1 -36.93 77.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.239 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.13 -53.84 43.21 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.846 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.25 -46.71 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.638 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.408 HG11 ' O ' ' B' ' 53' ' ' ARG . 14.9 p -63.92 -35.86 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.79 -175.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' B' ' 62' ' ' LYS . 38.6 t70 -70.42 -39.37 74.45 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.576 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -69.78 -40.7 75.89 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.237 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.18 -53.8 53.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.102 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.595 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 28.2 p -64.29 -44.28 92.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.606 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' B' ' 58' ' ' ASP . 11.7 ttmm -58.64 -53.27 60.23 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.89 178.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.09 93.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.2 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.455 ' O ' HG21 ' B' ' 68' ' ' VAL . 2.1 mt -50.81 -58.77 5.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.381 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.719 ' HG2' HG22 ' A' ' 57' ' ' VAL . 53.3 mtmt -65.92 -36.39 83.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.563 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' B' ' 66' ' ' GLN . 15.7 mm-40 -68.93 -39.42 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.685 0.279 . . . . 0.0 111.119 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 24.8 m -68.47 -34.69 76.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.921 0.391 . . . . 0.0 110.703 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.455 HG21 ' O ' ' B' ' 64' ' ' LEU . 78.6 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.461 176.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.96 -35.27 74.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.019 0.438 . . . . 0.0 110.641 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -61.69 -36.69 81.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.1 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -72.67 -36.87 68.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.161 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.11 -50.16 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.087 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -56.39 -35.39 67.69 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.038 177.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -64.59 -51.71 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 178.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.417 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 78.5 mt -62.23 -38.89 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -176.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.49 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 79.8 mt -59.74 -42.11 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 110.005 175.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -62.42 -45.86 91.21 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.533 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -60.54 -40.67 92.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.483 HD12 HD21 ' B' ' 37' ' ' LEU . 96.8 mt -67.59 -40.29 84.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 178.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 93.5 mt -61.86 -39.42 91.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.185 177.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -34.39 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.219 178.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.03 -47.64 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.277 0.56 . . . . 0.0 110.064 174.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.28 -42.94 99.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.914 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.94 -36.51 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.048 0.451 . . . . 0.0 110.993 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -62.11 -31.36 71.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.287 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.589 ' HB2' HG11 ' A' ' 28' ' ' VAL . 54.0 mm-40 -98.0 -16.75 19.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.264 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.81 43.44 25.05 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.118 0.485 . . . . 0.0 110.498 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.589 HG11 ' HB2' ' A' ' 26' ' ' GLU . 26.8 m -64.63 137.54 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.879 -176.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.7 p -78.41 162.25 66.91 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.127 175.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.465 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 83.8 Cg_exo -46.25 -56.88 2.56 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.072 2.515 . . . . 0.0 113.296 -178.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.03 -45.86 86.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.87 -44.23 93.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.696 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.09 86.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.266 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.9 mt -59.58 -44.62 93.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 -178.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.442 ' HE3' HG11 ' B' ' 12' ' ' VAL . 50.8 ttp -64.61 -30.01 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.199 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.523 ' HA ' HG12 ' B' ' 16' ' ' ILE . 64.0 m -82.32 -47.9 11.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.861 0.362 . . . . 0.0 110.954 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.572 ' O ' HG21 ' A' ' 41' ' ' VAL . 97.5 mt -63.92 -50.27 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.508 -177.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.69 -30.7 78.44 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.51 -42.37 74.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.143 0.496 . . . . 0.0 109.797 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.87 95.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.646 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 37' ' ' LEU . 57.6 t -58.77 -52.05 64.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.089 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.8 m -60.24 -35.71 76.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.325 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -64.41 -38.48 91.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.344 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.8 tt -85.11 -25.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.181 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 41' ' ' VAL . 72.3 mt -64.93 -30.54 50.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.143 0.497 . . . . 0.0 109.766 173.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.55 -8.13 55.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.076 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -92.08 -9.78 41.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.455 0.645 . . . . 0.0 109.319 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.0 t -92.98 139.79 23.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.387 177.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.63 139.48 47.81 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.757 2.305 . . . . 0.0 112.504 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.526 ' HA ' ' HG3' ' A' ' 53' ' ' ARG . 43.6 mt-10 -56.36 -26.48 52.9 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.06 -177.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 t -48.08 -40.83 24.47 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.48 0.488 . . . . 0.0 111.374 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -123.37 15.51 9.7 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.526 ' HG3' ' HA ' ' A' ' 50' ' ' GLU . 94.2 mtt180 -61.06 -40.85 95.23 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.922 0.391 . . . . 0.0 110.638 178.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -69.48 -38.37 76.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.434 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.93 79.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.544 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.13 -37.53 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.8 p -75.18 -32.72 26.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.136 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.17 -33.73 61.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.843 0.354 . . . . 0.0 110.455 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -69.5 -32.79 71.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.994 0.426 . . . . 0.0 110.276 174.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.38 -50.34 65.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.923 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.7 p -65.52 -31.78 73.03 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -57.81 -57.16 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.754 174.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.2 88.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.462 -177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.4 mt -55.78 -57.27 12.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.301 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -56.92 -39.14 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -70.43 -34.51 72.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.694 -176.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 t -89.1 -10.91 45.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.84 0.352 . . . . 0.0 111.321 -176.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.3 t -92.92 -44.53 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.899 177.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.188 178.228 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.434 ' O ' HG23 ' B' ' 12' ' ' VAL . 16.8 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -60.0 -41.63 92.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -173.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.82 -40.96 76.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.32 176.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.567 ' O ' HG13 ' B' ' 15' ' ' ILE . 78.1 ttt180 -68.84 -42.74 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.518 178.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.442 HG11 ' HE3' ' A' ' 35' ' ' MET . 96.6 t -55.23 -46.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.923 0.392 . . . . 0.0 110.481 178.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -65.37 -35.47 81.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.01 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -69.88 -26.14 64.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.004 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 11' ' ' ARG . 79.1 mt -68.64 -47.01 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.523 HG12 ' HA ' ' A' ' 36' ' ' CYS . 52.5 mt -58.94 -44.75 91.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.854 174.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.47 ' HA ' HD11 ' B' ' 20' ' ' LEU . 18.3 tm0? -67.44 -32.06 72.67 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.413 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.55 -35.89 78.04 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 85.3 mt -61.42 -45.65 93.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.605 172.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.47 HD11 ' HA ' ' B' ' 17' ' ' GLN . 85.5 mt -62.14 -36.95 83.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.661 177.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.441 ' HA ' HG11 ' B' ' 24' ' ' VAL . 26.2 t70 -63.79 -35.91 82.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.737 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 93.3 t -73.32 -37.26 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.085 0.469 . . . . 0.0 110.114 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.543 HD21 HG22 ' B' ' 28' ' ' VAL . 90.8 mt -63.12 -39.46 94.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.631 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.441 HG11 ' HA ' ' B' ' 21' ' ' ASP . 10.4 p -83.73 -25.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.707 0.289 . . . . 0.0 110.38 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -53.7 -47.58 70.35 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.1 0.476 . . . . 0.0 110.487 172.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.51 -10.97 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.406 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 54.11 66.93 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.51 -173.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.543 HG22 HD21 ' B' ' 23' ' ' LEU . 19.8 m -76.94 173.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.602 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.521 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 25.6 p -111.37 166.99 9.73 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.76 176.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 7.1 Cg_endo -50.35 -49.75 15.54 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.768 2.312 . . . . 0.0 112.419 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.17 -51.22 65.02 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.677 0.751 . . . . 0.0 110.363 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -67.87 -39.21 83.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.827 -173.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.37 -50.18 70.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.182 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.45 -44.61 92.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.726 0.298 . . . . 0.0 111.163 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 42.7 ttp -63.96 -38.41 90.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.44 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m -77.09 -47.66 19.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.673 0.273 . . . . 0.0 110.999 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.599 ' O ' HG21 ' B' ' 41' ' ' VAL . 94.8 mt -61.95 -49.62 75.4 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.998 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.84 -31.43 75.85 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.412 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.81 -45.27 78.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.235 0.54 . . . . 0.0 109.7 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.87 95.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.742 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.599 HG21 ' O ' ' B' ' 37' ' ' LEU . 55.7 t -58.03 -49.99 79.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 121.177 0.513 . . . . 0.0 109.83 177.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.1 m -63.3 -33.26 75.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.145 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -63.47 -48.29 78.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.742 177.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.36 -41.85 93.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.239 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.503 HG13 ' O ' ' B' ' 41' ' ' VAL . 69.6 mt -62.89 -31.39 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.237 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.92 -14.31 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.873 0.368 . . . . 0.0 111.247 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -93.38 -3.03 54.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.554 0.693 . . . . 0.0 110.128 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.513 ' O ' ' HD3' ' B' ' 53' ' ' ARG . 48.6 t -85.53 140.63 36.05 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.578 178.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.86 145.66 90.74 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.091 1.86 . . . . 0.0 112.028 175.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . 0.433 ' CD ' HH21 ' B' ' 53' ' ' ARG . 5.2 tp10 -55.91 -32.45 63.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.379 -170.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 31.0 t -55.65 -47.78 76.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.418 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.422 ' HG3' ' CG1' ' B' ' 48' ' ' VAL . 18.2 ptpt -106.34 -1.8 22.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.357 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' B' ' 48' ' ' VAL . 24.5 ttp180 -62.0 -37.56 85.3 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 111.525 -175.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.15 -35.39 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.468 0.651 . . . . 0.0 110.016 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.72 -44.95 72.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.565 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.08 -39.05 84.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.441 ' HB ' HD13 ' B' ' 45' ' ' ILE . 7.2 p -70.87 -36.54 64.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.698 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.25 -44.59 71.64 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.57 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -61.58 -37.03 82.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.231 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.59 -54.54 44.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.156 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 41.4 p -63.11 -36.55 83.98 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.254 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -63.06 -49.31 75.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.467 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.67 88.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.147 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -56.19 -54.55 43.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.333 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -56.92 -42.56 80.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.008 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -69.24 -32.91 72.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.344 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.8 m -79.24 -23.32 43.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.71 -177.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 120.907 0.384 . . . . 0.0 110.408 176.83 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.79 45.82 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.328 2.685 . . . . 0.0 112.68 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.4 HG22 ' HB2' ' A' ' 6' ' ' LYS . 41.7 mm -117.54 125.6 74.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.843 -176.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.7 m -107.62 -27.18 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.071 173.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -150.04 -40.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.81 176.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.4 ' HB2' HG22 ' A' ' 3' ' ' ILE . 61.8 tttp 73.16 -61.51 0.5 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.335 0.654 . . . . 0.0 111.318 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -83.5 144.87 29.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.103 0.478 . . . . 0.0 111.241 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.505 ' O ' HG21 ' A' ' 12' ' ' VAL . 2.6 p -80.48 142.52 34.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.94 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.97 -36.01 74.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.767 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -52.24 -48.98 64.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.259 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.497 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.5 ttt180 -66.98 -40.17 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.24 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 8' ' ' SER . 78.0 t -54.96 -50.53 61.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.742 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.92 -39.16 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.673 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -64.65 -37.55 87.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.01 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 11' ' ' ARG . 95.8 mt -65.73 -46.13 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.149 176.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.482 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 70.9 mt -59.2 -41.82 85.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.048 0.451 . . . . 0.0 109.915 176.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -57.47 -49.13 77.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.864 177.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.5 -38.46 91.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.563 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.77 -41.92 92.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' O ' HG22 ' A' ' 24' ' ' VAL . 95.8 mt -63.4 -43.92 96.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.208 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.51 -40.46 75.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.732 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.564 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 73.6 t -58.64 -53.29 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.513 175.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.09 -39.13 91.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.483 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 20' ' ' LEU . 99.5 t -68.07 -41.84 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.556 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 14.6 pttm -70.84 -19.61 62.63 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.79 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 57.8 mm-40 -88.88 -11.92 43.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.313 176.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 49.84 64.25 1.85 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.444 -170.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.449 HG11 ' HB2' ' A' ' 26' ' ' GLU . 34.2 m -80.95 151.14 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.663 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.538 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 31.1 p -97.86 167.62 11.41 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.246 173.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 10.0 Cg_endo -53.85 -44.21 51.25 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.112 1.875 . . . . 0.0 111.69 175.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.627 ' HB2' ' HH ' ' B' ' 7' ' ' TYR . 2.3 m-20 -56.31 -54.34 46.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.422 0.629 . . . . 0.0 110.014 177.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.35 -41.94 88.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.192 -175.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.16 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.942 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.09 -39.87 95.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.7 ttp -64.3 -43.99 93.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.353 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.0 m -70.42 -46.42 63.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.602 0.239 . . . . 0.0 111.221 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' O ' HG22 ' A' ' 41' ' ' VAL . 89.6 mt -62.51 -38.26 89.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.065 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.95 -46.05 91.45 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.508 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -69.62 -35.71 75.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.78 0.324 . . . . 0.0 110.639 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -62.83 -48.41 79.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.42 177.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 37' ' ' LEU . 98.8 t -61.91 -43.15 97.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.726 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -56.52 -41.42 76.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.974 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.54 -32.63 72.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.884 0.374 . . . . 0.0 110.663 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 40' ' ' ALA . 46.2 mm -68.93 -44.4 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.073 0.463 . . . . 0.0 110.247 177.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 41' ' ' VAL . 59.1 mt -68.55 -20.91 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.479 0.657 . . . . 0.0 110.344 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.603 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -74.89 -10.66 59.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.91 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -93.89 -6.28 46.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.15 0.5 . . . . 0.0 110.004 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.0 t -96.91 127.48 38.93 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.187 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -52.46 136.33 56.21 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.983 2.455 . . . . 0.0 112.901 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.752 ' HG3' HH21 ' A' ' 53' ' ' ARG . 7.9 mt-10 -53.0 -21.87 4.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.2 t -65.69 -19.71 66.01 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.681 0.276 . . . . 0.0 111.399 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -139.69 11.31 2.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 111.075 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.752 HH21 ' HG3' ' A' ' 50' ' ' GLU . 12.9 ttm180 -70.39 -37.74 74.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.124 -173.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.4 t -75.52 -28.31 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.251 0.548 . . . . 0.0 109.857 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.78 -45.6 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.849 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.4 m -69.06 -38.16 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.744 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.5 p -71.03 -31.68 45.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.779 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -72.14 -43.09 65.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.697 0.284 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -67.28 -36.29 81.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.729 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.449 ' CE2' HG11 ' A' ' 41' ' ' VAL . 81.5 t80 -58.12 -56.09 26.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.287 0.565 . . . . 0.0 110.064 174.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.541 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 22.7 p -63.83 -38.25 90.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.447 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.98 -49.06 79.16 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.61 76.37 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.324 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.423 ' O ' HG21 ' A' ' 68' ' ' VAL . 21.3 mt -58.28 -58.07 10.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 176.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -64.26 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.094 -177.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -60.93 -51.23 70.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.862 0.363 . . . . 0.0 110.587 173.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 m -63.02 -39.65 95.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.321 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 64' ' ' LEU . 71.2 t -61.39 -40.75 87.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.359 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 mp -81.66 -30.17 32.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.371 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -73.49 -40.15 64.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.974 0.416 . . . . 0.0 111.573 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -88.86 70.93 8.66 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.978 0.418 . . . . 0.0 112.014 -170.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -93.76 -57.14 2.65 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 168.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -91.6 173.05 8.09 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 168.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.546 ' O ' ' HB2' ' A' ' 75' ' ' HIS . 13.7 t-80 -53.25 -72.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.136 0.272 . . . . 0.0 110.344 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.546 ' HB2' ' O ' ' A' ' 74' ' ' HIS . 1.4 t-80 165.38 -48.72 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 178.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 . . . . . 0 C--N 1.319 -0.742 0 CA-C-N 114.044 -1.434 . . . . 0.0 107.687 170.894 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.837 ' HB3' ' HD3' ' B' ' 2' ' ' PRO . 27.4 ttt . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 119.727 -0.178 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.837 ' HD3' ' HB3' ' B' ' 1' ' ' MET . 18.5 Cg_endo -91.89 133.82 1.4 Allowed 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.294 1.996 . . . . 0.0 112.307 176.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.6 tp -84.02 108.16 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.456 0.646 . . . . 0.0 109.81 176.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -63.74 132.55 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.996 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -104.32 56.36 0.72 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.701 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.14 -25.35 64.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.705 -175.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.627 ' HH ' ' HB2' ' A' ' 31' ' ' ASP . 9.9 m-85 -129.69 162.36 28.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.596 0.236 . . . . 0.0 110.674 -171.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.497 ' O ' HG23 ' B' ' 12' ' ' VAL . 6.5 m -71.13 128.79 37.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.214 179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -61.59 -37.59 84.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.242 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.427 ' CD ' ' H ' ' B' ' 10' ' ' GLU . 1.8 mp0 -55.93 -50.99 69.2 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.438 ' O ' HG13 ' B' ' 15' ' ' ILE . 21.4 ttt180 -59.09 -43.38 91.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.893 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 8' ' ' SER . 88.5 t -57.79 -54.1 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.152 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.511 ' HA ' HD13 ' B' ' 16' ' ' ILE . 47.7 mt-10 -70.09 -26.53 64.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.553 -177.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -67.31 -44.56 78.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 110.406 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.438 HG13 ' O ' ' B' ' 11' ' ' ARG . 80.1 mt -61.44 -40.27 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.218 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.511 HD13 ' HA ' ' B' ' 13' ' ' GLU . 67.0 mt -57.95 -43.88 85.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.014 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.67 -46.34 79.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.097 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.14 -32.8 74.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.969 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.05 -43.8 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.13 0.49 . . . . 0.0 110.197 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 96.8 mt -64.03 -33.81 76.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.511 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.578 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 2.6 m-20 -58.41 -45.68 87.93 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.327 175.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 49.1 t -56.55 -44.69 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.229 0.537 . . . . 0.0 110.433 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.476 HD22 HG22 ' B' ' 28' ' ' VAL . 86.1 mt -67.92 -33.92 75.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.555 -177.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' B' ' 21' ' ' ASP . 9.2 p -83.62 -25.41 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' B' ' 21' ' ' ASP . 96.3 mttt -62.38 -34.85 77.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.972 0.415 . . . . 0.0 110.346 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -98.45 -7.91 27.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.887 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 50.5 49.21 21.19 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.485 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.476 HG22 HD22 ' B' ' 23' ' ' LEU . 21.5 m -64.2 151.93 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.703 -175.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 82.7 p -81.58 159.6 66.41 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.716 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.6 -45.61 36.82 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.599 2.2 . . . . 0.0 112.228 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.57 -45.06 95.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 tp -66.06 -45.49 81.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.714 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.34 80.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.072 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.64 -40.97 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.451 ' HE2' HG11 ' A' ' 12' ' ' VAL . 49.2 ttp -67.42 -44.07 79.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.106 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 91.1 m -67.13 -46.89 72.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.133 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.564 ' O ' HG22 ' B' ' 41' ' ' VAL . 96.0 mt -64.29 -40.53 96.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.779 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.67 -41.3 93.67 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.748 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -69.97 -37.01 75.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.734 0.302 . . . . 0.0 110.636 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.33 94.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.611 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.564 HG22 ' O ' ' B' ' 37' ' ' LEU . 63.0 t -60.94 -48.97 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.431 177.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 38.0 m -58.56 -40.16 82.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.323 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 48.2 t-20 -58.21 -44.63 88.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 110.184 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mm -67.75 -42.26 86.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.5 HD12 ' HB ' ' B' ' 57' ' ' VAL . 70.2 mt -65.72 -29.53 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.019 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.54 -22.34 63.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.047 0.451 . . . . 0.0 110.607 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.9 mt-30 -86.38 -5.95 59.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.283 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 28.7 t -94.14 135.65 24.35 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.97 140.51 58.89 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.102 2.534 . . . . 0.0 112.499 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.459 ' HA ' ' CB ' ' B' ' 53' ' ' ARG . 42.8 tt0 -58.32 -31.5 67.6 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -171.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 43.3 t -53.45 -33.34 53.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 0.0 111.183 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.482 ' HZ2' ' HB3' ' B' ' 52' ' ' LYS . 0.4 OUTLIER -120.84 3.11 10.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.775 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.459 ' CB ' ' HA ' ' B' ' 50' ' ' GLU . 41.8 ttm180 -64.1 -41.11 97.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.033 -176.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -73.83 -30.59 28.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.287 0.565 . . . . 0.0 110.215 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.65 -44.85 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.233 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.88 -38.3 81.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.5 ' HB ' HD12 ' B' ' 45' ' ' ILE . 7.7 p -71.15 -38.03 69.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.839 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.01 -47.45 74.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.279 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.88 -36.77 82.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.391 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.9 -53.92 52.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.978 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.541 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 41.1 p -64.5 -39.22 93.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.503 -178.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 87.6 tttt -61.35 -52.04 66.29 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.071 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.39 -32.73 74.29 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.222 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.451 ' O ' HG21 ' B' ' 68' ' ' VAL . 0.7 OUTLIER -57.24 -47.26 81.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.598 176.669 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -65.14 -34.95 79.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 23.0 mt-30 -62.15 -46.51 88.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 7.2 p -70.83 -35.41 72.45 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -175.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.451 HG21 ' O ' ' B' ' 64' ' ' LEU . 82.9 t -64.93 -39.39 85.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 111.274 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.88 -10.88 59.94 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -94.52 13.24 24.66 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -82.67 -31.92 28.43 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.006 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -111.15 30.52 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.208 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -55.53 -56.2 22.98 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.414 0.446 . . . . 0.0 111.525 -173.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -137.74 41.55 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.759 0.79 . . . . 0.0 110.016 174.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -124.53 172.25 9.35 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.745 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.869 -0.586 . . . . 0.0 109.468 178.842 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 pmm? . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.51 91.87 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.953 2.435 . . . . 0.0 113.167 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 7' ' ' TYR . 17.5 tt -171.81 119.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.11 175.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.0 m -89.31 179.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.976 -172.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 13.6 m -65.07 99.66 0.38 Allowed 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.102 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 5' ' ' SER . 35.0 ttpt 165.44 -41.04 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.59 ' HA ' HD13 ' A' ' 3' ' ' ILE . 90.5 m-85 49.92 -144.53 0.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 113.35 -1.75 . . . . 0.0 110.976 -178.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.4 t -145.82 144.83 30.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -56.83 -32.63 65.94 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 123.328 0.393 . . . . 0.0 110.165 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.29 -40.61 97.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.481 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 15' ' ' ILE . 67.1 ttt180 -79.34 -39.07 33.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.712 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 16' ' ' ILE . 84.0 t -60.66 -41.0 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -55.18 -46.28 75.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.243 173.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -60.03 -45.91 91.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.583 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 11' ' ' ARG . 68.4 mt -61.83 -46.78 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.662 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 12' ' ' VAL . 75.9 mt -59.16 -46.78 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.391 . . . . 0.0 110.316 176.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -64.37 -37.14 86.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.827 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 22' ' ' VAL . 16.1 t0 -70.53 -37.71 74.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.984 0.421 . . . . 0.0 110.042 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.77 -46.49 81.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.311 174.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 97.8 mt -64.29 -33.17 75.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.466 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.66 -34.91 78.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.408 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 18' ' ' ASP . 87.7 t -66.04 -42.68 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.121 0.486 . . . . 0.0 110.18 174.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.44 -33.4 75.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.663 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.7 t -80.8 -32.26 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.014 0.435 . . . . 0.0 110.638 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -55.32 -40.62 71.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.072 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' HG3' HG12 ' B' ' 15' ' ' ILE . 30.5 mm-40 -89.35 -22.89 22.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.972 176.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 56.64 75.04 0.37 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.708 -166.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.8 m -89.14 152.0 3.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.278 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -79.76 156.9 74.9 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -49.0 -42.54 38.12 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.411 2.074 . . . . 0.0 112.122 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -63.52 -51.13 66.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' B' ' 7' ' ' TYR . 62.4 tp -62.54 -39.68 94.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.817 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.42 -55.03 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.0 -40.52 89.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.792 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.4 ttp -62.13 -45.56 92.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.7 m -67.83 -45.69 73.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.602 0.239 . . . . 0.0 110.789 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.519 ' O ' HG21 ' A' ' 41' ' ' VAL . 96.7 mt -61.13 -42.79 99.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.894 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.85 -43.22 94.83 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.693 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -69.61 -35.47 75.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.668 0.271 . . . . 0.0 110.539 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.19 82.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.691 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.519 HG21 ' O ' ' A' ' 37' ' ' LEU . 57.3 t -60.26 -48.8 86.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.292 177.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.575 HG23 ' HG ' ' B' ' 67' ' ' SER . 46.1 m -59.4 -37.4 77.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.1 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.554 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 43.5 t30 -60.19 -43.39 95.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.756 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -68.17 -43.05 85.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.216 0.531 . . . . 0.0 110.269 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.462 HG22 ' HG3' ' A' ' 53' ' ' ARG . 59.3 mt -68.72 -26.53 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.486 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.16 -16.35 59.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.786 0.327 . . . . 0.0 111.331 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 77.2 mt-30 -85.77 -34.77 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.864 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.5 m -72.35 150.01 91.62 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.48 145.13 98.88 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.588 2.192 . . . . 0.0 111.203 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.673 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 15.4 tt0 -67.43 -8.72 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.083 0.468 . . . . 0.0 111.334 -174.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -61.94 -29.44 70.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.806 174.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.501 ' O ' HG22 ' A' ' 56' ' ' VAL . 29.5 mtpp -111.61 -19.68 12.42 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.094 0.473 . . . . 0.0 110.404 177.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.673 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 41.0 ttm180 -57.37 -41.13 79.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.956 -168.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.67 -35.67 18.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.211 0.529 . . . . 0.0 110.719 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.06 -42.93 72.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.121 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 52' ' ' LYS . 23.9 m -67.83 -35.88 73.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.4 p -74.39 -35.34 39.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.936 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.71 -43.09 80.89 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.206 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -65.71 -39.52 91.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -57.8 -55.5 34.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.406 0.622 . . . . 0.0 110.287 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.61 ' OG1' ' HE3' ' B' ' 65' ' ' LYS . 23.0 p -66.55 -40.75 89.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.618 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -59.22 -44.62 92.29 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.777 0.322 . . . . 0.0 110.771 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.1 98.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.001 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -55.1 -51.96 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.734 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.15 -48.52 76.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.549 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -19.71 58.27 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -174.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.0 m -87.81 -21.97 24.77 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.221 0.534 . . . . 0.0 110.797 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -93.34 -48.79 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.436 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.62 -45.01 94.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.663 0.268 . . . . 0.0 110.76 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -94.29 89.53 5.96 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.39 -71.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.088 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.5 t60 65.05 -76.87 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -171.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 178.88 -74.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 175.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -165.26 -166.41 1.0 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 172.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -109.69 -27.9 9.11 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 168.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.4 m170 . . . . . 0 C--O 1.247 0.971 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.497 175.492 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.43 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 94.0 mtp . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 7.1 Cg_exo -72.75 -4.12 14.77 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.221 2.614 . . . . 0.0 112.814 -176.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.6 mt -63.7 129.45 27.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 60.4 t -69.02 -73.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.335 -172.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 56.1 m 57.97 -91.08 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 O-C-N 123.292 0.37 . . . . 0.0 110.834 -171.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.424 ' HB3' ' HE2' ' B' ' 6' ' ' LYS . 36.8 mtpt -134.43 19.26 3.64 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 175.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 84.7 m-85 62.85 -161.97 0.29 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.867 -176.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.478 ' O ' HG23 ' B' ' 12' ' ' VAL . 11.7 p -144.3 129.44 18.65 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -62.15 -22.31 65.75 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.897 0.38 . . . . 0.0 110.655 -177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -62.08 -53.85 49.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.873 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.505 ' O ' HG13 ' B' ' 15' ' ' ILE . 66.8 ttt180 -71.88 -37.83 70.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.274 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 8' ' ' SER . 96.6 t -59.18 -53.0 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.717 0.294 . . . . 0.0 111.023 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -71.72 -26.88 62.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.119 0.485 . . . . 0.0 110.048 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.47 -49.19 78.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.462 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.505 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.9 mt -60.19 -45.95 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.558 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.502 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 73.4 mt -56.89 -45.19 83.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.367 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.96 -47.23 84.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.874 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -63.56 -34.77 78.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.08 0.467 . . . . 0.0 110.398 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.4 mt -67.11 -39.11 86.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.597 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 94.2 mt -65.03 -34.44 78.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.27 177.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.94 -39.58 92.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.488 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.71 -41.19 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.08 0.466 . . . . 0.0 110.669 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.34 -44.96 89.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.254 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p -76.73 -24.62 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.702 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -60.34 -38.83 85.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.861 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.459 ' HB2' HG11 ' B' ' 28' ' ' VAL . 70.8 mm-40 -94.63 -9.58 34.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.035 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 55.95 48.92 16.9 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.129 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.459 HG11 ' HB2' ' B' ' 26' ' ' GLU . 24.6 m -71.43 152.56 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.411 -177.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 19.1 p -82.46 160.33 62.28 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.83 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -53.48 -37.2 82.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.361 2.041 . . . . 0.0 111.934 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.59 -50.23 65.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.343 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.452 HD21 ' CZ ' ' A' ' 7' ' ' TYR . 57.9 tp -63.34 -38.83 92.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.771 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.26 -57.01 13.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.77 -39.09 93.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.019 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 57.2 ttp -64.39 -41.49 96.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.22 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -70.58 -41.82 71.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.592 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.494 ' O ' HG21 ' B' ' 41' ' ' VAL . 94.0 mt -61.87 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.752 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.28 -42.67 95.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.427 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -65.72 -39.91 91.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.615 0.245 . . . . 0.0 110.944 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.09 81.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.494 HG21 ' O ' ' B' ' 37' ' ' LEU . 78.6 t -57.9 -47.99 85.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.676 178.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.1 m -57.95 -40.52 80.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.258 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -66.83 -33.76 76.32 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.855 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.2 mm -70.33 -45.88 73.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 0.0 110.327 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.488 HG22 ' HG3' ' B' ' 53' ' ' ARG . 63.7 mt -66.69 -26.04 36.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.7 -13.41 61.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.401 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -89.34 -5.91 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.362 0.601 . . . . 0.0 110.012 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 22.6 t -100.45 125.75 38.2 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.296 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -51.9 143.99 37.57 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.822 2.348 . . . . 0.0 112.283 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.558 ' HA ' ' CB ' ' B' ' 53' ' ' ARG . 40.8 mt-10 -55.94 -26.12 46.44 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -175.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.406 ' HB3' ' HD2' ' B' ' 52' ' ' LYS . 47.0 t -50.03 -34.41 21.27 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.538 0.524 . . . . 0.0 111.431 177.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -132.12 15.97 4.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.087 0.47 . . . . 0.0 110.523 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.558 ' CB ' ' HA ' ' B' ' 50' ' ' GLU . 43.5 ttm180 -74.62 -36.5 62.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.621 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.62 -38.85 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.138 0.494 . . . . 0.0 109.81 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.32 82.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.28 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 31.0 m -68.05 -39.9 82.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 p -71.32 -37.87 67.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.002 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.21 -46.85 75.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.63 -42.07 82.62 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.742 177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.17 -51.51 69.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.518 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 34.5 p -67.18 -34.58 77.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.723 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -64.44 -45.32 87.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.76 91.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 28.0 mt -55.38 -57.61 11.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.292 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.61 ' HE3' ' OG1' ' A' ' 61' ' ' THR . 88.0 mttt -59.97 -34.32 73.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.862 -175.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.422 ' O ' ' HG3' ' B' ' 70' ' ' GLU . 49.6 tt0 -70.99 -51.56 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.187 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.575 ' HG ' HG23 ' A' ' 42' ' ' THR . 12.8 t -61.48 -38.77 88.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -175.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 76.6 t -66.85 -45.02 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.266 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 mp -73.03 -27.11 61.57 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.389 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.543 ' HB3' ' CD2' ' B' ' 72' ' ' HIS . 93.9 mt-10 -71.42 -34.45 70.32 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 171.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 25.8 p80 38.53 89.44 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.736 1.214 . . . . 0.0 113.086 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.543 ' CD2' ' HB3' ' B' ' 70' ' ' GLU . 29.4 p80 -164.25 171.32 15.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.497 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' B' ' 74' ' ' HIS . 82.5 m-70 -90.74 160.33 15.87 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' B' ' 73' ' ' HIS . 59.4 m-70 66.56 -172.57 0.19 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.359 0.412 . . . . 0.0 110.136 -172.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -111.91 19.77 17.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.33 -0.231 . . . . 0.0 110.876 -177.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 . . . . . 0 C--O 1.246 0.885 0 C-N-CA 124.81 1.244 . . . . 0.0 111.495 -179.702 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.472 0.177 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.04 133.36 43.79 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.421 2.081 . . . . 0.0 111.128 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -80.78 50.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.158 0.504 . . . . 0.0 111.52 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 t -116.16 -94.9 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m 49.36 41.04 19.89 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.749 0.655 . . . . 0.0 111.695 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -72.31 96.52 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.242 0.544 . . . . 0.0 110.686 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' B' ' 32' ' ' LEU . 13.3 p90 -82.48 157.02 23.77 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.566 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 m -97.82 158.98 15.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.883 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -62.39 -28.61 69.9 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.69 0.281 . . . . 0.0 111.194 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.13 -39.6 86.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.334 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.484 ' O ' HG13 ' A' ' 15' ' ' ILE . 61.5 ttt180 -72.75 -37.02 67.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.169 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 16' ' ' ILE . 58.8 t -55.24 -50.25 66.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.557 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HA ' HD12 ' A' ' 16' ' ' ILE . 31.6 tt0 -70.54 -29.92 66.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.688 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.18 -45.89 89.85 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.29 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 11' ' ' ARG . 62.3 mt -63.83 -37.86 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.358 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.528 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 71.0 mt -59.15 -47.89 88.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.029 0.442 . . . . 0.0 109.908 175.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -61.86 -44.09 97.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.528 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -45.51 77.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.586 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 90.1 mt -65.06 -42.63 94.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.865 178.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.7 mt -60.62 -42.08 96.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.695 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.42 -37.38 80.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.5 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.96 -37.23 83.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.02 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -79.17 -32.69 15.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.839 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -58.44 -40.79 83.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.169 0.509 . . . . 0.0 110.659 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -86.29 -21.37 27.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.06 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 58.38 66.82 1.02 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.506 -173.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 m -92.24 166.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.746 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -89.65 161.73 38.29 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.462 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 51.8 Cg_exo -55.28 -44.28 50.49 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.277 1.985 . . . . 0.0 111.691 177.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.88 -46.25 90.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.668 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.595 HD13 HG21 ' B' ' 12' ' ' VAL . 63.0 tp -65.44 -42.05 92.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.761 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.28 -48.45 78.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.9 mt -59.65 -45.88 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.18 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.5 ttp -61.05 -41.24 96.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.9 m -69.21 -48.7 61.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.85 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.9 mt -58.58 -42.67 88.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.756 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.82 -47.93 82.21 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.278 -0.487 . . . . 0.0 112.745 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -69.69 -32.76 71.54 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.888 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.8 85.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.896 0.379 . . . . 0.0 110.264 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 37' ' ' LEU . 88.6 t -59.9 -46.68 93.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.255 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.477 HG23 HG22 ' B' ' 68' ' ' VAL . 43.2 m -60.45 -26.92 67.12 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.32 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -73.45 -45.07 56.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.506 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -65.78 -41.06 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.039 0.447 . . . . 0.0 110.825 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.51 HG23 ' HG3' ' A' ' 53' ' ' ARG . 58.9 mt -71.08 -17.04 19.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.916 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.42 -6.66 59.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 110.983 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -87.11 -10.3 53.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.1 m -105.7 155.3 38.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.681 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.11 140.03 80.45 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.895 2.397 . . . . 0.0 111.481 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.664 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 4.3 pt-20 -64.67 -17.16 63.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -174.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.5 t -58.51 -42.78 88.46 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.931 0.396 . . . . 0.0 110.332 172.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' HG22 ' A' ' 56' ' ' VAL . 57.3 mttm -92.91 -26.96 17.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.322 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.664 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 32.0 ttm180 -51.46 -48.52 62.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.928 -174.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.43 -44.5 94.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.63 -43.5 93.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.178 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 52' ' ' LYS . 94.5 t -63.92 -47.28 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.444 -178.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.47 -37.36 79.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.429 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.506 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 37.5 t70 -70.43 -41.26 73.1 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.887 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -64.13 -35.86 82.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.901 0.381 . . . . 0.0 110.196 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.68 -54.58 44.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.819 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.978 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 44.8 p -63.35 -36.63 84.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.55 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -62.53 -48.0 81.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.749 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.67 -30.62 70.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.028 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 68' ' ' VAL . 10.5 mt -57.47 -59.07 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.243 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.538 ' HG2' HG21 ' B' ' 57' ' ' VAL . 8.9 mtmp? -62.11 -35.52 78.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.982 0.42 . . . . 0.0 110.571 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.91 -48.43 74.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.449 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.1 p -69.72 -23.73 63.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -175.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 64' ' ' LEU . 72.6 t -72.81 -46.3 53.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.792 0.329 . . . . 0.0 110.427 176.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.3 -38.33 68.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.773 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -94.19 27.43 2.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.821 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -80.9 122.92 27.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.201 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -48.69 133.34 17.2 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.72 0.637 . . . . 0.0 111.512 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -135.0 144.66 47.49 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.724 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -73.1 89.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -76.43 98.24 4.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.779 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 77.7 t60 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.905 -176.059 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.0 ttp . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.87 -95.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.023 2.482 . . . . 0.0 112.861 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.6 pt -137.28 -0.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 p -115.85 125.02 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.315 0.579 . . . . 0.0 110.92 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -100.93 159.02 15.55 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.175 175.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.645 ' H ' ' HD2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -85.72 3.15 42.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.697 0.284 . . . . 0.0 110.428 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 61.62 -151.69 0.38 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.143 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.402 ' HB3' ' HB3' ' B' ' 11' ' ' ARG . 43.7 t -163.38 125.58 2.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.003 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.47 -44.15 95.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.107 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.7 -31.26 72.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.037 0.446 . . . . 0.0 110.593 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.553 ' O ' HG13 ' B' ' 15' ' ' ILE . 46.8 ttt85 -67.78 -44.83 76.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.183 177.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.595 HG21 HD13 ' A' ' 32' ' ' LEU . 98.4 t -62.64 -42.11 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.141 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.77 -41.68 82.52 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.075 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -64.49 -45.16 88.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.138 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 11' ' ' ARG . 69.6 mt -58.68 -41.87 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.694 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.485 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 67.5 mt -61.81 -40.6 87.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.011 0.434 . . . . 0.0 110.187 176.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -66.29 -38.57 88.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.665 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' B' ' 21' ' ' ASP . 0.8 OUTLIER -60.91 -42.09 97.42 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.039 0.447 . . . . 0.0 110.896 176.419 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 77.0 mt -63.97 -42.99 97.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.189 177.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 98.5 mt -63.84 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.716 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.485 ' HA ' HG12 ' B' ' 24' ' ' VAL . 17.8 t70 -60.25 -48.4 81.92 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.223 175.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 1.027 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 57.9 t -54.79 -43.1 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.427 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.69 -38.63 77.06 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.58 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' B' ' 21' ' ' ASP . 11.1 p -83.14 -32.4 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 1.027 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 55.0 pttt -72.34 -24.05 61.24 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.78 178.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -88.76 -25.48 22.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.162 174.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 60.87 53.19 3.91 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.506 0.67 . . . . 0.0 110.188 -175.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.426 HG12 HD12 ' A' ' 15' ' ' ILE . 32.7 m -84.73 159.59 3.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.297 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 34.2 p -84.97 156.68 60.62 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.879 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.421 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 10.2 Cg_endo -52.77 -40.12 75.27 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.856 2.371 . . . . 0.0 112.382 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.04 -45.29 89.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.753 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.428 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 54.6 tp -66.82 -45.14 79.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.489 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -54.96 -52.07 64.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.026 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.449 HD21 HG12 ' A' ' 41' ' ' VAL . 98.6 mt -61.16 -42.2 98.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.218 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.1 ttp -63.14 -41.1 99.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.01 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 93.8 m -72.15 -41.62 66.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.017 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.525 ' O ' HG22 ' B' ' 41' ' ' VAL . 90.8 mt -58.17 -47.64 82.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.574 177.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -46.94 93.19 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.603 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -65.07 -28.69 69.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.574 0.226 . . . . 0.0 111.48 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.77 -44.04 70.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 110.085 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.525 HG22 ' O ' ' B' ' 37' ' ' LEU . 79.0 t -58.57 -46.09 90.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.635 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -52.91 -41.81 64.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.766 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -69.89 -38.12 76.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.614 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.4 mm -66.41 -44.81 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.605 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.505 HD12 ' HB ' ' B' ' 57' ' ' VAL . 69.4 mt -64.92 -28.03 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.64 -12.18 60.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.288 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -100.7 -4.55 28.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.27 0.557 . . . . 0.0 109.903 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -86.5 138.83 33.7 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.702 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -41.1 128.93 3.03 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.557 2.838 . . . . 0.0 112.85 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.522 ' HA ' ' HB2' ' B' ' 53' ' ' ARG . 31.8 tt0 -62.41 -27.31 69.0 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -170.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.9 t -61.01 -30.21 70.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.663 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.443 ' O ' HG11 ' B' ' 56' ' ' VAL . 16.9 ptpt -114.85 5.63 15.21 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.907 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.522 ' HB2' ' HA ' ' B' ' 50' ' ' GLU . 42.9 ttm180 -65.82 -42.71 90.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.673 0.273 . . . . 0.0 111.42 -174.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.6 -31.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.6 0.714 . . . . 0.0 109.371 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -45.58 66.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.662 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.443 HG11 ' O ' ' B' ' 52' ' ' LYS . 28.5 m -65.87 -34.08 67.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.538 HG21 ' HG2' ' A' ' 65' ' ' LYS . 8.2 p -73.76 -38.13 50.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.434 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.463 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 20.9 t70 -67.81 -46.23 72.49 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -67.04 -29.86 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.829 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.449 ' HE1' ' O ' ' A' ' 34' ' ' LEU . 65.6 t80 -62.83 -51.75 65.82 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 173.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.978 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 61.4 p -65.86 -34.28 77.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -58.28 -56.14 25.9 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.09 171.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.84 83.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.351 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.405 ' O ' HG21 ' B' ' 68' ' ' VAL . 15.5 mt -53.67 -62.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.374 0.421 . . . . 0.0 111.273 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 56.5 mtmt -63.08 -30.05 71.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -71.56 -44.76 63.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.502 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' B' ' 71' ' ' HIS . 7.8 t -72.33 -36.82 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.477 HG22 HG23 ' A' ' 42' ' ' THR . 79.2 t -67.23 -42.53 88.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.715 -0.221 . . . . 0.0 111.448 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 tt -64.25 -38.52 91.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.377 0.608 . . . . 0.0 109.725 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -82.45 -3.43 55.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.914 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' B' ' 67' ' ' SER . 9.8 t-160 -83.19 69.3 9.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.389 0.614 . . . . 0.0 111.795 -171.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -110.45 108.07 17.95 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 167.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -55.69 117.23 3.44 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.309 0.576 . . . . 0.0 112.544 -168.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 1.2 t60 61.26 22.0 12.41 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.947 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -141.05 86.73 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.021 0.438 . . . . 0.0 110.56 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.092 -179.537 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -83.8 -169.9 0.77 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.436 2.091 . . . . 0.0 110.343 169.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -82.89 117.91 29.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.351 175.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 m -86.31 112.01 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.042 0.449 . . . . 0.0 111.141 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 7' ' ' TYR . 39.2 m 66.49 176.8 0.23 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.101 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.559 ' HB3' ' HZ1' ' A' ' 6' ' ' LYS . 3.9 ttpm? 54.78 76.09 0.27 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.526 0.679 . . . . 0.0 109.337 -174.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 5' ' ' SER . 12.3 m-85 -89.7 156.54 18.48 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.661 -169.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m -67.35 134.09 50.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.02 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -59.3 -32.45 70.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.181 -174.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.86 -45.83 91.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.707 0.289 . . . . 0.0 110.378 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.44 ' O ' HG13 ' A' ' 15' ' ' ILE . 20.8 ttt180 -67.65 -42.23 82.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.571 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 16' ' ' ILE . 86.2 t -58.36 -50.18 79.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.66 -25.07 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.979 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -62.26 -50.27 72.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.026 0.441 . . . . 0.0 110.022 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 11' ' ' ARG . 57.4 mt -61.84 -44.23 98.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.328 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 12' ' ' VAL . 79.6 mt -57.91 -48.04 84.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.798 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -65.25 -38.33 90.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.297 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -66.84 -37.15 83.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.006 0.432 . . . . 0.0 110.161 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.488 HD11 HD23 ' B' ' 37' ' ' LEU . 84.8 mt -66.54 -46.97 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.385 175.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.62 -33.81 75.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.568 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 8.9 t70 -62.85 -41.7 99.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.012 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.12 -43.65 93.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.774 0.321 . . . . 0.0 110.232 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.13 -46.68 89.57 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.66 -35.97 63.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 110.597 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 33.1 ttmt -58.96 -38.4 79.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.855 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.414 ' HB2' HG11 ' A' ' 28' ' ' VAL . 45.9 mm-40 -93.31 -6.82 46.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.109 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 55.21 48.79 18.65 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.13 0.49 . . . . 0.0 110.87 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.414 HG11 ' HB2' ' A' ' 26' ' ' GLU . 25.9 m -73.73 152.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.514 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 p -81.72 157.74 69.08 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.5 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.567 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 10.1 Cg_endo -53.66 -42.01 69.41 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.317 2.011 . . . . 0.0 111.105 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -57.5 -51.75 68.17 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.633 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD12 HG22 ' B' ' 12' ' ' VAL . 57.3 tp -65.72 -42.62 90.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.855 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.55 96.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.182 -178.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.9 mt -62.25 -41.19 98.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.703 0.287 . . . . 0.0 110.676 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 43.5 ttp -67.56 -28.99 68.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.101 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.483 ' HA ' HG12 ' B' ' 16' ' ' ILE . 65.8 m -82.43 -50.21 9.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.795 0.331 . . . . 0.0 110.782 178.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.2 mt -61.0 -49.71 76.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -178.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.61 -35.91 91.85 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.358 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 35' ' ' MET . 15.7 t-20 -66.39 -40.26 89.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.218 0.532 . . . . 0.0 109.797 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.66 82.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.706 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 37' ' ' LEU . 60.5 t -59.33 -42.32 87.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.451 178.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -56.25 -43.93 79.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.188 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.433 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 44.1 t30 -60.18 -43.42 95.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.683 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -65.48 -48.45 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.29 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.503 HG21 ' HB ' ' A' ' 57' ' ' VAL . 47.0 mt -71.32 -28.18 31.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.801 0.334 . . . . 0.0 111.192 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.24 -15.67 63.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 69.2 mt-30 -91.71 -1.28 57.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.042 0.448 . . . . 0.0 110.631 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.546 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 45.4 t -90.35 137.89 27.35 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.269 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.99 145.21 94.21 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 122.152 1.901 . . . . 0.0 111.983 174.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 3.3 tp10 -55.86 -26.34 46.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.169 -173.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -53.13 -30.96 39.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.736 0.303 . . . . 0.0 111.815 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -135.48 -0.06 2.7 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.362 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.546 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 44.9 ttp180 -68.21 -52.56 32.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.055 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 58.3 t -61.6 -31.67 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.179 0.514 . . . . 0.0 110.024 176.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.18 -53.53 29.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.601 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.09 -36.72 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.503 ' HB ' HG21 ' A' ' 45' ' ' ILE . 11.4 p -72.41 -26.94 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.513 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 4.2 t70 -74.59 -46.23 39.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.063 0.459 . . . . 0.0 109.891 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -62.73 -40.21 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.33 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -56.24 -52.36 64.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.533 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.5 HG23 HG21 ' B' ' 61' ' ' THR . 10.8 p -69.01 -37.13 78.51 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.413 -176.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -61.92 -50.19 73.14 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.918 0.389 . . . . 0.0 110.545 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.27 80.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.185 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.6 mt -58.39 -55.89 29.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -57.81 -41.24 81.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.191 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -68.25 -45.51 73.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.259 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.729 ' O ' ' HB2' ' A' ' 71' ' ' HIS . 15.0 t -67.74 -36.72 81.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.833 -0.167 . . . . 0.0 111.003 -176.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.93 -49.99 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.703 0.287 . . . . 0.0 111.333 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.75 -48.67 63.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.464 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -82.65 7.26 15.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.954 0.406 . . . . 0.0 111.034 -175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.729 ' HB2' ' O ' ' A' ' 67' ' ' SER . 11.4 t-80 -77.13 -12.68 59.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -129.49 104.93 7.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.527 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -84.92 133.42 34.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.236 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -57.49 118.53 5.28 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -78.59 14.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.998 -172.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 . . . . . 0 C--O 1.245 0.867 0 CA-C-N 115.408 -0.814 . . . . 0.0 108.995 175.862 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.411 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 67.1 mtt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 3.1 Cg_exo -76.59 165.98 28.04 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.84 2.36 . . . . 0.0 110.959 174.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.5 tp -75.81 90.42 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 122.014 0.911 . . . . 0.0 110.281 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.27 117.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.832 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -144.05 15.91 1.72 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.487 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -111.66 -1.27 15.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.777 -175.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 55.72 -151.55 0.39 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.525 174.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.418 ' O ' HG21 ' B' ' 12' ' ' VAL . 21.3 m -145.31 135.08 23.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -52.69 -49.16 65.86 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.515 0.509 . . . . 0.0 112.037 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.57 -50.13 68.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.532 ' O ' HG13 ' B' ' 15' ' ' ILE . 35.8 ttt85 -64.97 -50.63 65.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.965 -177.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.508 HG22 HD12 ' A' ' 32' ' ' LEU . 89.7 t -60.19 -50.26 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.337 -177.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.21 -24.22 61.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.981 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -75.77 -33.3 60.19 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.786 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.537 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 87.0 mt -60.92 -47.31 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.483 HG12 ' HA ' ' A' ' 36' ' ' CYS . 55.8 mt -59.6 -44.9 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.385 175.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -58.49 -52.93 63.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.934 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.415 ' O ' HG22 ' B' ' 22' ' ' VAL . 24.9 t70 -60.85 -36.11 78.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.579 0.228 . . . . 0.0 111.33 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 96.0 mt -62.04 -44.14 97.32 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 110.148 174.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.452 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.38 -28.99 69.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.994 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 84.9 t -69.77 -39.45 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.4 0.619 . . . . 0.0 109.785 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.17 -37.58 85.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.8 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 84.5 t -78.38 -30.01 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.075 0.464 . . . . 0.0 110.747 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 72.2 tttt -52.35 -46.52 66.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.666 175.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -95.32 -8.72 35.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.247 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 46.6 65.28 1.25 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.646 0.736 . . . . 0.0 110.326 -170.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 33.2 m -69.32 153.19 8.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.673 -1.149 . . . . 0.0 112.444 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.509 HG22 ' HD2' ' B' ' 30' ' ' PRO . 0.2 OUTLIER -89.3 146.61 36.44 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 114.288 -1.324 . . . . 0.0 109.119 177.468 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.509 ' HD2' HG22 ' B' ' 29' ' ' THR . 48.2 Cg_exo -40.03 -51.36 3.15 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.376 2.718 . . . . 0.0 114.574 -178.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.84 -35.48 77.0 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.936 0.398 . . . . 0.0 110.76 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.41 -44.99 77.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.373 176.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.08 -52.77 64.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.114 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.03 -31.11 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.98 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 36.7 ttp -69.49 -49.51 54.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.733 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.71 -47.5 72.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.236 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.558 ' O ' HG21 ' B' ' 41' ' ' VAL . 88.1 mt -61.42 -42.71 99.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.12 -42.73 97.23 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.663 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -72.12 -34.31 68.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.655 0.264 . . . . 0.0 110.777 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.13 84.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.558 HG21 ' O ' ' B' ' 37' ' ' LEU . 60.4 t -59.89 -51.94 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.665 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 56.9 m -55.96 -35.79 67.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.527 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.39 -39.78 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.787 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.7 tt -83.96 -22.05 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.892 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 41' ' ' VAL . 61.2 mt -72.65 -27.71 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.213 0.53 . . . . 0.0 109.935 175.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.39 -18.14 64.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.75 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -81.94 -10.64 59.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.296 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.2 t -92.98 130.99 34.38 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.926 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 146.92 26.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.872 2.381 . . . . 0.0 112.439 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -58.45 -25.56 62.37 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.971 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.4 m -52.4 -41.76 63.46 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.402 0.438 . . . . 0.0 111.787 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -123.26 7.69 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.674 0.273 . . . . 0.0 111.397 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -65.66 -36.38 83.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.88 0.371 . . . . 0.0 110.473 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.82 -32.9 42.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.207 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.4 -47.18 62.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.251 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 m -64.91 -38.62 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 8.6 p -73.51 -33.54 39.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.794 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -66.67 -50.44 62.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.933 0.397 . . . . 0.0 109.972 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -62.91 -32.65 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.426 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.53 -55.87 28.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.765 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' B' ' 65' ' ' LYS . 22.9 p -64.47 -33.65 76.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.377 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -66.53 -56.51 10.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.051 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.84 91.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.667 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.39 -45.46 87.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.92 0.39 . . . . 0.0 110.032 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.535 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 1.7 tttm -59.59 -45.97 90.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.378 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -65.88 -39.29 90.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.347 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 6.3 t -70.31 -35.89 73.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.018 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 78.2 t -65.0 -43.25 96.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.647 0.261 . . . . 0.0 110.367 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 93.3 mt -58.23 -53.93 52.71 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.713 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -97.49 78.5 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.199 0.523 . . . . 0.0 110.643 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -139.21 140.25 37.71 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -89.23 116.43 27.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.768 0.318 . . . . 0.0 111.141 -173.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -162.16 101.67 1.11 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.352 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -100.31 -170.29 1.85 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.432 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -85.46 100.88 12.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.012 0.434 . . . . 0.0 110.892 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.493 176.233 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 50.8 ttm . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.55 0.214 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 39.3 Cg_exo -60.91 132.76 43.87 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.758 2.305 . . . . 0.0 112.095 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.421 HG12 ' N ' ' A' ' 4' ' ' VAL . 14.9 tt -130.73 166.73 27.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.381 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.421 ' N ' HG12 ' A' ' 3' ' ' ILE . 21.6 t -66.45 -19.13 25.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.11 0.481 . . . . 0.0 111.245 -178.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 m -74.48 80.9 1.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.471 0.653 . . . . 0.0 111.67 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -90.4 -23.81 20.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.767 0.794 . . . . 0.0 109.079 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -74.1 144.29 45.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.877 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.5 p -75.88 151.72 37.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.877 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -62.73 -31.92 72.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.609 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -61.25 -45.24 95.33 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.872 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.616 ' O ' HG13 ' A' ' 15' ' ' ILE . 50.9 ttt85 -61.98 -46.09 90.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.856 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -55.28 -49.62 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.095 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -61.43 -38.6 87.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.212 0.53 . . . . 0.0 110.98 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' HA ' ' HB3' ' A' ' 17' ' ' GLN . 42.5 mttp -81.48 -19.78 41.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.88 -175.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 11' ' ' ARG . 93.4 mt -66.77 -47.57 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 169.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.434 HG21 ' HB2' ' B' ' 40' ' ' ALA . 64.1 mt -61.15 -45.7 98.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.096 176.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.498 ' HB3' ' HA ' ' A' ' 14' ' ' LYS . 42.7 tp60 -59.77 -47.22 86.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.361 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -60.21 -43.41 96.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 109.951 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.73 -48.08 82.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.654 176.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.71 -37.39 86.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.195 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.63 -40.62 97.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.345 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.27 -45.57 95.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.15 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.458 HD13 HD22 ' A' ' 37' ' ' LEU . 97.5 mt -60.3 -42.43 95.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.279 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -75.52 -32.77 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -56.94 -43.24 81.29 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 174.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.489 ' HG3' HG12 ' B' ' 15' ' ' ILE . 66.5 mm-40 -82.02 -12.76 58.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.073 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 55.82 50.28 14.4 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.099 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.488 ' HA ' HD23 ' A' ' 32' ' ' LEU . 33.0 m -64.68 142.39 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.984 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 p -79.21 162.09 65.44 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.563 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 83.4 Cg_exo -48.82 -45.24 29.08 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.653 2.235 . . . . 0.0 112.584 178.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -72.96 -37.91 66.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.154 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 28' ' ' VAL . 60.1 tp -65.36 -38.74 90.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.867 0.365 . . . . 0.0 110.045 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.48 85.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.574 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 87.9 mt -58.78 -49.2 78.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.037 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttp -62.46 -39.04 92.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.467 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.443 ' HA ' HG12 ' B' ' 16' ' ' ILE . 61.1 m -76.08 -50.03 15.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.112 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.593 ' O ' HG21 ' A' ' 41' ' ' VAL . 95.7 mt -65.47 -47.28 76.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.206 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.91 -34.09 81.48 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.37 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.405 ' O ' HG22 ' A' ' 42' ' ' THR . 5.2 t-20 -68.3 -44.56 75.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.09 77.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.843 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.593 HG21 ' O ' ' A' ' 37' ' ' LEU . 82.3 t -61.79 -47.92 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.399 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 39' ' ' ASN . 5.3 t -74.94 -19.24 60.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -173.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -74.03 -34.51 64.14 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 174.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.37 -38.45 69.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.246 0.546 . . . . 0.0 109.955 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 41' ' ' VAL . 83.3 mt -62.22 -30.97 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.645 177.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.33 -5.49 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.462 . . . . 0.0 111.371 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.57 -24.28 18.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.148 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.539 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 27.5 m -91.56 162.51 31.38 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.475 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' A' ' 48' ' ' VAL . 27.6 Cg_endo -62.79 148.08 93.87 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.583 2.189 . . . . 0.0 112.133 175.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.549 ' OE1' ' HD2' ' A' ' 53' ' ' ARG . 2.4 mm-40 -59.84 -23.77 63.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.025 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.0 t -48.72 -39.56 25.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.32 176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -118.91 3.92 11.5 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.549 ' HD2' ' OE1' ' A' ' 50' ' ' GLU . 96.3 mtt180 -60.45 -49.77 76.26 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.597 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.62 -28.57 40.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.146 0.498 . . . . 0.0 110.424 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.33 -48.25 43.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.1 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.715 ' HB ' HD13 ' B' ' 34' ' ' LEU . 28.7 m -64.14 -35.51 74.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.46 ' HB ' HD12 ' A' ' 45' ' ' ILE . 9.4 p -73.74 -36.77 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.771 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.8 -39.07 80.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.089 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -72.37 -32.46 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -61.09 -53.65 54.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.337 0.589 . . . . 0.0 109.717 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.3 p -65.25 -37.73 88.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -58.14 -49.61 76.37 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.519 175.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.92 71.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.386 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.51 -61.21 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.056 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -64.2 -32.16 73.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.496 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -60.7 -38.62 85.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.163 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 71' ' ' HIS . 15.1 m -88.19 -40.97 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.187 -176.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.23 -48.89 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.34 -20.48 60.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.313 . . . . 0.0 111.264 -175.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -95.83 -2.64 47.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.064 0.459 . . . . 0.0 110.479 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 67' ' ' SER . 15.8 t-80 -89.95 16.23 8.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.111 0.481 . . . . 0.0 110.405 -177.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -72.7 101.72 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -106.74 130.38 54.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.221 -172.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -84.25 139.58 32.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.076 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -75.66 -81.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.989 0.423 . . . . 0.0 111.15 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--O 1.247 0.939 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -177.029 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -60.88 114.7 2.27 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.805 2.337 . . . . 0.0 112.483 -177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.9 mm -61.17 132.82 26.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.548 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t -49.19 102.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.245 0 O-C-N 123.849 0.718 . . . . 0.0 112.265 -173.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -135.98 106.6 6.53 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -100.29 -22.67 15.02 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -128.48 131.33 48.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.871 0.367 . . . . 0.0 111.181 -174.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 7.3 p -86.7 146.43 26.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.389 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.37 -46.23 86.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.405 -176.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -60.23 -44.84 94.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.959 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.544 ' O ' HG13 ' B' ' 15' ' ' ILE . 55.3 ttt180 -63.88 -49.89 70.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.08 -46.73 95.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.77 -40.33 92.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.584 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -63.12 -43.8 97.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.056 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.544 HG13 ' O ' ' B' ' 11' ' ' ARG . 88.6 mt -57.74 -47.89 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.332 . . . . 0.0 110.489 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.443 HG12 ' HA ' ' A' ' 36' ' ' CYS . 63.2 mt -62.55 -46.66 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -64.92 -41.86 95.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.953 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.459 ' O ' HG21 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -58.47 -43.4 88.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.412 178.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 91.6 mt -63.81 -42.97 97.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.645 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.15 -39.01 88.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -68.03 -36.5 80.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.459 HG21 ' O ' ' B' ' 18' ' ' ASP . 76.8 t -61.07 -42.77 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.099 0.476 . . . . 0.0 110.358 174.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' B' ' 19' ' ' LEU . 91.3 mt -59.93 -42.76 94.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.709 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.0 t -68.48 -40.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.174 0.511 . . . . 0.0 110.234 176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -54.96 -43.43 73.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.422 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.511 ' HG3' HG12 ' A' ' 15' ' ' ILE . 12.0 mm-40 -86.28 -6.0 59.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.203 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 57.32 39.85 28.12 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.607 0.567 . . . . 0.0 111.123 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.525 ' HA ' HD21 ' B' ' 32' ' ' LEU . 32.1 m -62.75 131.68 28.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.087 0.47 . . . . 0.0 111.234 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.4 p -74.0 150.9 88.29 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.524 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 84.0 Cg_exo -46.52 -51.66 8.56 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.951 2.434 . . . . 0.0 113.322 -177.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.64 -38.46 91.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' B' ' 28' ' ' VAL . 44.1 tp -63.06 -44.5 95.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.462 175.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.96 78.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.614 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.715 HD13 ' HB ' ' A' ' 56' ' ' VAL . 84.3 mt -60.71 -44.76 96.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.444 177.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.429 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 50.4 ttp -64.55 -44.66 90.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 71.4 m -67.89 -52.51 35.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.305 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.574 ' O ' HG21 ' B' ' 41' ' ' VAL . 99.2 mt -63.1 -48.19 79.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.868 -178.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.21 97.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.488 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' B' ' 35' ' ' MET . 22.4 t-20 -66.6 -41.32 88.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.434 ' HB2' HG21 ' A' ' 16' ' ' ILE . . . -60.53 -47.37 86.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.569 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.574 HG21 ' O ' ' B' ' 37' ' ' LEU . 59.2 t -59.71 -43.3 91.15 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 CA-C-O 120.987 0.422 . . . . 0.0 110.398 177.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -58.12 -40.87 82.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.684 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -72.88 -12.98 61.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.921 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 71.2 mt -94.9 -43.24 12.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.383 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.487 ' O ' HG21 ' B' ' 48' ' ' VAL . 57.6 mt -69.11 -23.55 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.325 0.584 . . . . 0.0 110.711 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.56 -12.96 61.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.14 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -81.91 -35.94 28.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.01 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.487 HG21 ' O ' ' B' ' 45' ' ' ILE . 33.2 m -74.52 150.46 86.91 Favored Pre-proline 0 C--O 1.235 0.32 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.42 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.34 151.77 65.58 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.905 2.403 . . . . 0.0 112.024 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.447 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 24.1 mt-10 -66.96 -9.17 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.524 -175.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -70.32 -28.6 65.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.851 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -122.5 -4.21 8.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.289 . . . . 0.0 111.128 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.461 ' HG3' HG22 ' B' ' 45' ' ' ILE . 43.4 ttm180 -60.99 -40.13 92.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.473 -174.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.6 -39.59 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.059 0.457 . . . . 0.0 110.332 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.96 78.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.031 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.83 -50.01 81.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.708 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.17 -34.9 71.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.772 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.58 -44.83 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.666 0.269 . . . . 0.0 110.578 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.43 -42.32 82.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.125 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.16 -50.79 68.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.45 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -63.55 -39.43 94.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.745 -178.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -64.44 -46.73 81.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.334 . . . . 0.0 110.615 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.48 77.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.074 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.423 ' O ' HG22 ' B' ' 68' ' ' VAL . 58.9 mt -61.78 -57.29 12.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.428 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 93.4 mttt -61.27 -41.95 97.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.613 0.244 . . . . 0.0 111.074 -176.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -60.75 -36.08 78.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.104 0.478 . . . . 0.0 110.598 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 30.8 t -76.99 -25.48 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.259 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 64' ' ' LEU . 95.4 t -84.88 -34.24 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.747 0.308 . . . . 0.0 110.715 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 95.5 mt -60.04 -55.65 31.41 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.16 63.43 3.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.873 0.844 . . . . 0.0 108.789 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -69.93 115.21 8.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.991 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 72.8 t60 70.01 113.83 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.471 -177.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.0 147.84 52.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.986 -178.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -81.67 100.7 9.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.637 0.256 . . . . 0.0 111.379 -171.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 82.7 t60 71.53 -54.76 0.67 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.822 0.849 . . . . 0.0 111.598 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 6.4 p80 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.937 -0.554 . . . . 0.0 110.356 -178.526 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.427 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 2.1 mpt? . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 10.9 Cg_exo -72.17 -11.16 26.78 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.953 2.435 . . . . 0.0 111.516 176.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 56.0 mt -84.6 91.66 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.218 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.607 HG11 ' HG3' ' A' ' 6' ' ' LYS . 15.9 t 48.52 77.09 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.485 177.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -65.04 -35.91 82.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.249 -177.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.607 ' HG3' HG11 ' A' ' 4' ' ' VAL . 37.2 mtmm 69.76 4.52 4.78 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.172 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 58.55 -155.58 0.34 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.143 0.497 . . . . 0.0 110.761 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 p -91.97 130.06 37.79 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.248 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -53.63 -34.48 58.72 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.379 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -59.85 -55.23 36.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.572 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' O ' HG13 ' A' ' 15' ' ' ILE . 78.5 ttt180 -58.61 -46.11 87.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.882 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' O ' HG13 ' A' ' 16' ' ' ILE . 92.6 t -55.03 -53.1 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.486 -178.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -79.17 -16.09 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.765 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -64.77 -48.22 75.3 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 171.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 11' ' ' ARG . 61.8 mt -59.49 -48.99 85.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.225 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 12' ' ' VAL . 69.1 mt -55.75 -49.79 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.977 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -64.61 -40.86 96.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.78 -37.47 86.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.015 0.436 . . . . 0.0 110.334 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.48 -45.96 81.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.689 174.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 93.9 mt -61.7 -34.3 75.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.891 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.416 ' HA ' HG13 ' A' ' 24' ' ' VAL . 23.3 t70 -64.53 -43.31 94.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.201 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.1 t -59.31 -42.89 88.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.045 0.45 . . . . 0.0 110.047 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.45 -44.99 95.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.631 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.416 HG13 ' HA ' ' A' ' 21' ' ' ASP . 11.3 p -75.37 -31.06 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.606 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -65.25 -39.82 93.18 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.753 175.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -77.5 -10.77 59.67 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.654 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 60.31 42.85 14.38 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.3 m -75.12 134.8 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-O 122.053 0.93 . . . . 0.0 111.81 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.504 HG21 ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -76.31 143.15 72.51 Favored Pre-proline 0 N--CA 1.436 -1.149 0 CA-C-N 114.016 -1.447 . . . . 0.0 109.358 176.667 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.504 ' HD2' HG21 ' A' ' 29' ' ' THR . 53.5 Cg_exo -41.2 -48.7 4.97 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.44 2.76 . . . . 0.0 114.044 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.49 -49.79 76.15 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.386 0.612 . . . . 0.0 110.446 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' B' ' 7' ' ' TYR . 39.1 tp -59.78 -43.05 94.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.75 176.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.86 85.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.94 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 95.9 mt -60.47 -46.29 90.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 0.0 110.372 177.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.452 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 50.2 ttp -63.82 -36.12 82.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.003 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.5 m -75.26 -50.5 15.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.571 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.1 mt -62.46 -50.62 70.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.384 -177.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.02 -35.69 88.04 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.258 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 35' ' ' MET . 14.8 t-20 -67.94 -41.76 82.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.239 0.542 . . . . 0.0 109.763 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.13 -43.35 95.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.714 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.5 t -57.57 -41.7 79.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.307 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.462 HG21 HG23 ' B' ' 68' ' ' VAL . 89.3 m -55.29 -43.72 75.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.302 178.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -72.86 -31.22 64.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -69.41 -42.57 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 0.0 110.355 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.415 ' CG2' ' HG3' ' A' ' 53' ' ' ARG . 72.4 mt -67.01 -25.62 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.158 0.504 . . . . 0.0 110.116 177.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.86 -17.04 64.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.897 0.379 . . . . 0.0 110.967 178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -89.55 -4.66 57.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.355 0.598 . . . . 0.0 110.169 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 t -92.39 137.02 24.83 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.89 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -64.0 144.73 88.53 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.185 1.923 . . . . 0.0 111.903 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -52.06 -32.61 35.36 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.181 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -54.86 -35.46 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.157 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -122.0 3.2 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 111.137 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.415 ' HG3' ' CG2' ' A' ' 45' ' ' ILE . 18.5 ttp180 -68.41 -37.29 80.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.672 -174.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.86 -38.98 44.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.394 0.616 . . . . 0.0 110.216 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.56 97.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.501 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.8 m -68.03 -39.02 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -177.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -70.8 -32.04 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.306 -177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.39 -49.23 44.06 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 110.415 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -63.0 -38.19 90.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -53.83 -53.59 50.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.427 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.559 HG23 HG21 ' B' ' 61' ' ' THR . 14.1 p -74.76 -41.84 59.34 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.954 -174.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -57.98 -49.41 76.92 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 120.996 0.427 . . . . 0.0 111.128 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.99 68.63 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.381 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.22 -53.11 61.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.503 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.475 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 43.5 mtpt -58.55 -44.66 89.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.974 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -59.78 -46.86 87.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.257 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.9 m -67.34 -40.93 85.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.388 -176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.55 -35.88 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.812 0.339 . . . . 0.0 110.94 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.23 -49.32 72.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.383 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -71.61 -40.42 69.81 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.104 0.478 . . . . 0.0 110.745 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -96.48 59.18 1.8 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.168 0.509 . . . . 0.0 110.134 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -76.37 -40.6 50.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.864 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -131.65 -81.77 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 170.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 53.46 84.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.98 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -107.06 -18.05 14.01 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 162.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 . . . . . 0 C--O 1.247 0.928 0 CA-C-N 113.726 -1.579 . . . . 0.0 107.957 172.482 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -71.18 100.46 1.0 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.561 2.174 . . . . 0.0 111.384 177.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -80.39 71.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.436 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.4 t 57.15 41.17 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.891 0.853 . . . . 0.0 110.244 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.4 p -79.52 70.36 5.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.673 0.749 . . . . 0.0 109.909 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -107.17 -7.86 16.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.196 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.518 ' CE1' HD22 ' A' ' 32' ' ' LEU . 6.2 m-85 -120.09 151.05 39.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.097 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.7 t -89.34 148.78 23.34 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 172.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.413 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 27.0 p-10 -61.65 -25.44 67.37 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.46 -43.62 84.15 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.619 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.467 ' O ' HG13 ' B' ' 15' ' ' ILE . 54.6 ttt85 -78.89 -35.65 43.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 -177.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.421 ' O ' HG13 ' B' ' 16' ' ' ILE . 91.7 t -60.55 -50.64 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.461 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' B' ' 9' ' ' ASN . 53.2 mm-40 -63.4 -34.08 76.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.897 0.379 . . . . 0.0 110.274 176.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -61.06 -53.68 54.16 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.192 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 11' ' ' ARG . 75.2 mt -58.24 -40.7 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.512 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 12' ' ' VAL . 74.9 mt -60.48 -43.41 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.114 175.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -64.08 -42.9 96.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.839 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.61 -42.61 93.02 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.459 HD13 HD23 ' A' ' 37' ' ' LEU . 96.9 mt -65.29 -47.25 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.773 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 91.0 mt -62.51 -35.32 79.03 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.492 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -58.1 -47.86 81.95 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.55 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.23 -45.4 93.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 O-C-N 123.216 0.323 . . . . 0.0 110.883 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.41 -39.88 92.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.439 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 91.0 t -75.63 -38.04 37.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.964 0.411 . . . . 0.0 110.63 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -57.96 -41.3 82.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.925 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -80.67 -16.95 52.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.576 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 50.39 67.06 0.98 Allowed 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.117 -170.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 32.3 m -85.31 155.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.627 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 23.6 p -84.18 159.43 59.49 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.25 -50.34 13.76 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.719 2.279 . . . . 0.0 112.622 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.43 -43.69 93.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.78 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 tp -61.86 -44.07 97.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.644 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.57 81.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.88 -42.67 98.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 57.8 ttp -62.0 -41.89 98.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 62.5 m -69.15 -47.66 64.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.536 ' O ' HG21 ' B' ' 41' ' ' VAL . 99.0 mt -60.37 -41.39 93.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.248 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.26 -44.38 93.36 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.64 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -69.97 -34.83 73.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.803 0.335 . . . . 0.0 110.733 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.16 92.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.509 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.536 HG21 ' O ' ' B' ' 37' ' ' LEU . 64.0 t -61.57 -37.44 77.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.324 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.5 m -57.34 -41.48 80.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.772 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.14 -39.44 82.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.887 0.375 . . . . 0.0 110.513 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.7 mm -61.61 -47.87 91.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.386 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.426 HG13 ' O ' ' B' ' 41' ' ' VAL . 36.8 mt -71.22 -20.04 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.152 0.501 . . . . 0.0 110.361 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.643 ' HA ' ' NH1' ' B' ' 53' ' ' ARG . . . -75.13 -10.44 59.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 176.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -88.81 -6.95 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.578 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.444 ' CG1' ' HG3' ' B' ' 52' ' ' LYS . 20.7 t -102.53 129.19 26.5 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.816 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.48 142.64 85.61 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.417 2.078 . . . . 0.0 112.01 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.476 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 6.1 mp0 -45.38 -31.37 1.63 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.344 0.658 . . . . 0.0 112.589 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 15.2 m -46.44 -41.08 13.32 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 123.637 0.586 . . . . 0.0 111.735 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.444 ' HG3' ' CG1' ' B' ' 48' ' ' VAL . 20.2 ptmt -125.93 3.26 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.881 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.643 ' NH1' ' HA ' ' B' ' 46' ' ' ALA . 21.5 ttm-85 -62.36 -47.01 86.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -176.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 37.5 t -65.87 -35.17 74.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.206 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.41 -51.13 60.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.04 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.75 -35.57 75.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 p -71.4 -31.37 43.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 120.92 0.391 . . . . 0.0 110.645 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.69 -45.71 35.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -60.85 -41.35 95.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.66 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -56.01 -54.92 39.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.374 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.559 HG21 HG23 ' A' ' 61' ' ' THR . 18.9 p -70.0 -34.1 72.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.364 -176.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.69 -58.7 7.42 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.03 0.443 . . . . 0.0 110.657 173.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.525 -177.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 tt -58.83 -49.45 77.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.941 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.487 ' HG3' HG21 ' A' ' 61' ' ' THR . 8.5 mtmp? -62.36 -43.0 99.84 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.522 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.929 ' HA ' HE21 ' B' ' 66' ' ' GLN . 0.0 OUTLIER -75.21 -30.93 60.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -176.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.534 ' O ' ' HB2' ' B' ' 71' ' ' HIS . 17.5 p -72.76 -46.58 52.69 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.669 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.462 HG23 HG21 ' A' ' 42' ' ' THR . 94.4 t -61.03 -45.67 98.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.636 -0.257 . . . . 0.0 111.518 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.06 -14.65 63.1 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -125.12 12.98 8.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.275 0.56 . . . . 0.0 110.556 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' B' ' 67' ' ' SER . 34.1 t-80 -87.84 -30.07 20.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.457 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -93.49 -9.78 37.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.098 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 83.4 t60 72.01 156.77 0.17 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.461 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -73.24 141.63 47.27 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -136.19 113.08 10.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.239 0.543 . . . . 0.0 111.677 -173.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 36.8 t60 . . . . . 0 C--O 1.244 0.795 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.989 177.468 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.653 ' H3 ' ' HD2' ' A' ' 2' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.653 ' HD2' ' H3 ' ' A' ' 1' ' ' MET . 56.2 Cg_endo -71.62 100.45 1.05 Allowed 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.415 1.41 . . . . 0.0 111.666 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.2 mt -101.74 116.33 45.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.608 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.49 99.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -114.97 168.94 9.47 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.856 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -86.17 -25.9 25.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.816 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -89.84 145.87 24.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.114 0.483 . . . . 0.0 111.38 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' HG21 ' A' ' 12' ' ' VAL . 22.3 p -112.09 177.98 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.005 177.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.12 -30.47 71.62 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.081 0.238 . . . . 0.0 110.778 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.23 -43.0 99.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.471 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' HG13 ' A' ' 15' ' ' ILE . 79.9 ttt180 -70.0 -33.88 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.167 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' ' 16' ' ' ILE . 61.1 t -61.63 -50.18 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.923 175.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.28 -39.71 70.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.836 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.24 -49.05 79.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.34 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 11' ' ' ARG . 56.1 mt -63.93 -43.3 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.365 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 12' ' ' VAL . 68.8 mt -60.93 -39.8 83.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.208 177.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.6 -41.86 92.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.751 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.09 -37.57 84.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.424 . . . . 0.0 110.283 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.7 -51.51 64.7 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.763 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.527 HD21 HD11 ' A' ' 23' ' ' LEU . 91.9 mt -64.59 -27.49 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.828 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -46.97 85.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.923 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.3 t -60.24 -45.25 96.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.022 0.439 . . . . 0.0 110.723 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.527 HD11 HD21 ' A' ' 20' ' ' LEU . 97.7 mt -60.65 -42.03 96.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.65 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t -80.58 -32.34 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -54.33 -47.28 72.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.4 0.619 . . . . 0.0 110.138 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HB2' HG12 ' A' ' 28' ' ' VAL . 57.5 mm-40 -88.45 -5.43 58.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.142 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 37.55 58.43 1.33 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 124.309 1.006 . . . . 0.0 111.397 -174.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.41 HG12 ' HB2' ' A' ' 26' ' ' GLU . 33.3 m -73.41 162.25 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.748 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.2 p -86.81 159.77 51.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.294 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.38 -48.48 18.6 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.864 2.376 . . . . 0.0 112.538 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -56.51 -50.72 71.0 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.627 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD12 ' CD1' ' B' ' 7' ' ' TYR . 35.8 tp -62.89 -46.36 88.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.872 -177.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.74 -53.34 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.102 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.5 mt -60.83 -43.54 98.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.458 -176.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.4 ttp -64.65 -40.29 95.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.647 0.261 . . . . 0.0 111.086 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -68.69 -47.34 66.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.765 0.317 . . . . 0.0 110.671 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.557 ' O ' HG21 ' A' ' 41' ' ' VAL . 96.0 mt -61.24 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.14 -43.73 93.32 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.847 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -69.12 -36.59 77.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.642 0.258 . . . . 0.0 110.754 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 -46.39 88.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.435 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.557 HG21 ' O ' ' A' ' 37' ' ' LEU . 60.0 t -60.74 -54.14 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.344 177.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.6 m -57.33 -39.23 75.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.708 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -66.74 -36.39 82.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.393 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.9 tt -84.73 -25.73 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.014 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.413 ' O ' ' HG3' ' A' ' 53' ' ' ARG . 57.2 mt -65.55 -33.24 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.373 0.606 . . . . 0.0 109.95 174.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.29 -14.59 61.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.138 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -83.63 -15.67 48.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.417 0.627 . . . . 0.0 109.703 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.1 t -81.1 135.93 50.67 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.379 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -44.41 126.06 6.45 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.886 2.391 . . . . 0.0 112.194 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.502 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 41.9 tt0 -50.99 -34.63 29.91 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.069 -174.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -50.77 -32.52 20.06 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.996 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.733 ' HZ3' ' HB3' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -123.02 6.74 9.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.935 0.398 . . . . 0.0 110.554 179.059 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.502 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 40.3 ttm180 -67.44 -40.51 85.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.192 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.81 -35.71 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.058 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.19 -51.63 62.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.5 m -63.87 -35.22 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -175.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -75.0 -33.03 28.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.585 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.27 -36.18 68.94 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.603 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -63.5 -46.3 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.429 ' CE2' HG12 ' A' ' 41' ' ' VAL . 52.6 t80 -58.33 -51.49 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.059 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.1 p -65.69 -41.44 92.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.837 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -60.71 -51.42 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.293 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.46 90.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.856 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.504 ' O ' HG21 ' A' ' 68' ' ' VAL . 9.5 mt -49.52 -66.47 0.39 Allowed 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.726 0.641 . . . . 0.0 112.029 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HG2' HG23 ' B' ' 57' ' ' VAL . 50.8 mtmt -63.81 -29.03 70.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.497 -174.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -69.19 -39.84 78.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.704 0.288 . . . . 0.0 110.642 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 p -80.93 -10.24 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 111.406 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 64' ' ' LEU . 53.4 t -85.93 -41.84 15.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.768 0.318 . . . . 0.0 110.647 176.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 97.9 mt -61.77 -42.92 99.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.461 177.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -125.44 95.6 4.52 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -114.99 40.1 2.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.967 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 65.87 94.88 0.06 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.695 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -76.07 73.74 2.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.437 -171.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -93.85 111.56 23.27 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -66.83 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.042 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.455 -0.783 . . . . 0.0 109.523 177.715 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.8 169.2 22.92 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.534 2.156 . . . . 0.0 111.745 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.407 HD12 ' N ' ' B' ' 3' ' ' ILE . 3.3 mp -82.49 116.37 26.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 31.0 m -62.9 151.89 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.258 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m -87.27 39.29 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.26 0.552 . . . . 0.0 110.631 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -82.49 100.15 9.9 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.619 0.723 . . . . 0.0 110.385 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.433 ' CD1' HD12 ' A' ' 32' ' ' LEU . 27.0 p90 -54.42 151.04 8.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.261 -1.336 . . . . 0.0 112.39 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 5.3 t -101.39 160.24 14.59 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 175.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.79 -36.44 76.72 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -175.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.32 -35.98 70.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.755 0.312 . . . . 0.0 110.656 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.478 ' O ' HG13 ' B' ' 15' ' ' ILE . 9.8 ttt-85 -71.07 -41.86 70.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.928 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.3 -46.98 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.007 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -57.72 -40.2 79.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.695 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -64.68 -49.97 68.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.153 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.512 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 76.5 mt -60.11 -44.15 94.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -175.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.402 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 76.4 mt -59.91 -40.95 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.273 176.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -61.91 -46.88 87.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.653 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.437 ' O ' HG21 ' B' ' 22' ' ' VAL . 15.2 m-20 -64.24 -35.85 82.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.077 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.7 mt -64.01 -44.01 93.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 110.375 175.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 97.9 mt -65.21 -33.68 76.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.374 176.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.445 ' HA ' HG13 ' B' ' 24' ' ' VAL . 0.6 OUTLIER -62.06 -38.65 89.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.815 176.014 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.52 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 95.5 t -62.87 -41.4 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 0.0 110.541 177.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.47 HD22 HG22 ' B' ' 28' ' ' VAL . 84.5 mt -65.52 -35.36 80.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.92 -178.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.445 HG13 ' HA ' ' B' ' 21' ' ' ASP . 9.7 p -85.01 -19.0 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 120.917 0.389 . . . . 0.0 110.808 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.52 ' HD3' ' HA ' ' B' ' 22' ' ' VAL . 9.9 mtpm? -62.27 -35.87 80.32 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.192 0.52 . . . . 0.0 110.046 172.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.511 ' HG3' HG12 ' A' ' 15' ' ' ILE . 46.5 mm-40 -102.99 -14.52 16.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.66 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 55.2 49.05 18.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.415 0.626 . . . . 0.0 109.899 -173.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.47 HG22 HD22 ' B' ' 23' ' ' LEU . 34.0 m -61.23 148.3 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.161 -175.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 40.3 p -80.77 165.17 47.3 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.442 173.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.428 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 74.9 Cg_exo -50.44 -45.11 36.08 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.287 1.991 . . . . 0.0 111.61 174.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.09 -55.91 24.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.103 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 tp -58.53 -36.03 73.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.131 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.07 -51.69 62.85 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.895 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 85.8 mt -62.07 -42.83 99.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.161 -177.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 32.9 ttp -63.87 -31.83 73.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.546 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 67.8 m -85.0 -49.14 8.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.739 0.304 . . . . 0.0 111.0 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.585 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.2 mt -60.67 -54.31 46.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.411 -177.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.4 -33.31 84.16 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.592 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -64.78 -44.23 90.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.138 0.494 . . . . 0.0 109.846 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.05 -39.4 86.93 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.699 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 37' ' ' LEU . 89.9 t -59.5 -47.96 88.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.946 177.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.0 m -64.35 -32.7 74.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.726 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -64.88 -35.83 82.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.394 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.4 mm -76.04 -46.2 34.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.678 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 70.1 mt -61.42 -29.8 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.968 0.413 . . . . 0.0 111.289 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.66 -21.31 65.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.185 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -89.58 -8.63 52.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 0.0 110.392 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 47.8 t -83.64 133.64 46.28 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.371 176.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -41.91 129.7 4.17 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.29 2.66 . . . . 0.0 112.603 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -49.59 -39.83 36.74 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -170.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 56.2 m -57.75 -52.89 63.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 111.544 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -87.2 -9.93 53.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.062 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.99 -45.09 91.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.985 0.421 . . . . 0.0 110.655 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.8 t -67.21 -34.3 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.188 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.79 -48.53 45.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.503 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.6 m -65.73 -34.39 70.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -176.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.535 HG23 ' HG2' ' A' ' 65' ' ' LYS . 13.3 p -73.02 -35.07 47.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.524 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.503 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 32.6 t70 -67.33 -44.37 79.27 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -61.93 -36.97 82.95 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.319 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -61.14 -53.48 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.081 177.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 41.2 p -64.66 -35.06 79.8 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.129 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.2 -56.25 23.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.412 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.25 81.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.99 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.459 ' O ' HG22 ' B' ' 68' ' ' VAL . 13.6 mt -53.13 -63.04 1.28 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.408 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -65.6 -30.22 70.92 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.521 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.87 -48.89 77.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.821 0.343 . . . . 0.0 110.961 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.1 p -75.63 -26.96 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.66 -176.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.459 HG22 ' O ' ' B' ' 64' ' ' LEU . 59.2 t -66.04 -38.52 82.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.709 0.29 . . . . 0.0 110.78 176.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.95 -26.03 63.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.976 0.417 . . . . 0.0 111.309 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -94.69 -68.93 0.77 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 52.04 74.97 0.24 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.096 -173.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -87.27 56.44 3.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.39 -173.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -95.38 76.2 3.36 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -158.85 49.54 0.36 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.356 -175.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -85.03 61.9 7.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.959 0.885 . . . . 0.0 110.081 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 114.349 -1.296 . . . . 0.0 108.687 179.155 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.94 117.1 4.1 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.8 mt -87.25 98.2 7.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.901 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 79.7 t 73.04 130.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.407 0.622 . . . . 0.0 110.913 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 t -81.63 -171.17 3.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.503 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -77.58 -23.11 50.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.985 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -82.9 105.23 13.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.251 0.548 . . . . 0.0 110.492 176.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.453 ' O ' HG22 ' A' ' 12' ' ' VAL . 10.6 t -70.15 158.28 36.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.492 -178.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.51 -49.97 74.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.99 -33.22 72.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.912 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.551 ' O ' HG13 ' A' ' 15' ' ' ILE . 60.1 ttt85 -67.1 -45.2 77.94 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 8' ' ' SER . 80.1 t -55.38 -45.63 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.014 0.435 . . . . 0.0 110.489 178.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.89 -40.74 85.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.942 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 17' ' ' GLN . 55.9 mttp -79.32 -22.63 44.26 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 11' ' ' ARG . 81.8 mt -65.65 -46.4 89.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.478 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 67.6 mt -61.51 -42.69 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.894 175.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.472 ' HB3' ' HA ' ' A' ' 14' ' ' LYS . 54.3 tp60 -59.39 -48.65 80.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.138 177.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.91 -37.11 70.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.024 0.44 . . . . 0.0 110.555 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 97.7 mt -65.84 -42.57 90.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.609 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.5 mt -64.81 -37.7 88.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.746 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.91 -41.77 83.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.555 175.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.78 -44.41 93.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.095 0.474 . . . . 0.0 110.572 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 95.7 mt -61.59 -37.36 83.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.66 -178.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.79 -30.42 16.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.787 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -65.37 -38.66 90.72 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.992 0.425 . . . . 0.0 110.721 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HG3' HG12 ' B' ' 15' ' ' ILE . 78.8 mm-40 -83.15 -14.94 52.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.153 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 56.78 48.84 15.39 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.234 0.54 . . . . 0.0 110.848 -177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.766 ' HA ' HD23 ' A' ' 32' ' ' LEU . 34.6 m -70.77 140.9 17.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.894 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.513 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 9.5 p -92.01 168.44 13.0 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.737 173.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.513 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 93.5 Cg_exo -45.26 -58.31 1.67 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.948 2.432 . . . . 0.0 113.462 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.69 -40.32 94.57 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 111.216 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.766 HD23 ' HA ' ' A' ' 28' ' ' VAL . 58.6 tp -65.17 -47.1 78.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.378 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.92 -49.46 77.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.139 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.04 -37.81 83.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.3 ttp -65.55 -45.75 82.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.473 ' HA ' HG12 ' B' ' 16' ' ' ILE . 72.2 m -70.41 -45.46 65.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.181 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.8 mt -62.22 -44.06 97.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.697 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.59 -45.04 90.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.211 -0.519 . . . . 0.0 112.373 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -66.76 -36.29 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.998 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.62 84.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.683 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 37' ' ' LEU . 62.8 t -61.35 -40.92 87.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.595 178.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.2 m -55.32 -46.99 76.31 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 40.9 t30 -60.01 -43.22 95.38 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.719 0.295 . . . . 0.0 110.919 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -65.93 -47.84 83.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.092 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.515 HD12 ' HB ' ' A' ' 57' ' ' VAL . 58.6 mt -67.8 -30.16 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.823 0.344 . . . . 0.0 111.263 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.05 -23.71 67.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.969 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 72.7 mt-30 -82.03 -10.45 59.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.471 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 41.1 t -79.29 136.71 56.57 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.896 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.07 148.2 93.51 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.531 2.154 . . . . 0.0 112.78 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' CD ' HH21 ' A' ' 53' ' ' ARG . 3.4 tp10 -51.16 -33.06 25.35 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.573 -173.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -53.24 -43.3 67.21 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.774 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.51 ' HB3' ' HZ2' ' A' ' 52' ' ' LYS . 0.4 OUTLIER -124.57 2.74 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.808 -174.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 37.6 ttp180 -64.9 -34.42 78.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.821 -175.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.32 -30.48 8.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.381 0.61 . . . . 0.0 109.826 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -40.3 74.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.524 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.68 -40.4 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.515 ' HB ' HD12 ' A' ' 45' ' ' ILE . 7.3 p -70.06 -33.83 56.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.621 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -65.68 -47.53 75.14 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -61.77 -38.05 86.57 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.586 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.76 -51.31 70.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.175 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.589 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 51.7 p -65.64 -35.64 81.39 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.249 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -61.6 -50.28 73.22 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.339 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.28 90.49 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.469 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.19 -60.56 3.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.039 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -61.2 -37.21 82.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.105 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -59.78 -48.8 80.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.093 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 m -72.36 -26.91 62.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.439 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -77.68 -46.01 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.433 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.5 mt -65.79 -34.91 79.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 111.386 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -72.57 -68.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 26.49 -100.22 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.733 1.271 . . . . 0.0 113.328 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.4 m80 37.64 -100.96 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.755 0.822 . . . . 0.0 111.644 -173.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -130.15 120.02 23.91 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -76.24 85.8 3.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.566 0.698 . . . . 0.0 110.652 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -136.34 130.06 32.29 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.83 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.9 t60 . . . . . 0 C--N 1.315 -0.929 0 CA-C-O 118.688 -0.672 . . . . 0.0 110.043 -176.762 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.709 0.29 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.71 121.09 7.09 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.625 2.217 . . . . 0.0 112.956 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt -99.33 -170.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.562 174.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 48.1 t -65.02 105.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.116 0.484 . . . . 0.0 109.811 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -124.13 -165.36 1.35 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.673 -174.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -96.28 17.16 16.46 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.067 0.46 . . . . 0.0 110.023 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 61.55 -167.68 0.19 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.706 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -96.54 117.79 31.67 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 174.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.409 ' HA ' ' HB ' ' B' ' 12' ' ' VAL . 48.7 m-80 -59.4 -26.74 65.39 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.279 0.362 . . . . 0.0 111.145 -173.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -55.7 -56.19 23.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.966 0.412 . . . . 0.0 110.142 173.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.549 ' O ' HG13 ' B' ' 15' ' ' ILE . 64.8 ttt180 -69.23 -35.09 75.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.592 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.435 ' O ' HG13 ' B' ' 16' ' ' ILE . 78.5 t -55.77 -45.02 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.878 0.371 . . . . 0.0 110.08 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -72.05 -32.6 67.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.613 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -55.58 -45.37 77.39 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.549 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.0 mt -60.2 -47.38 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.345 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.473 HG12 ' HA ' ' A' ' 36' ' ' CYS . 64.5 mt -57.95 -49.28 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 178.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -65.11 -35.88 82.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.968 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -67.22 -42.77 83.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 109.827 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 96.2 mt -62.74 -43.72 98.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.589 176.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.536 HD21 HD11 ' B' ' 23' ' ' LEU . 95.9 mt -64.82 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.253 0.549 . . . . 0.0 110.252 176.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 4.0 t70 -69.2 -36.76 77.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.831 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.534 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 99.5 t -67.16 -38.61 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.255 173.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.536 HD11 HD21 ' B' ' 20' ' ' LEU . 85.7 mt -62.85 -35.76 81.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.006 178.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.74 -22.45 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.483 177.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.534 ' HD3' ' HA ' ' B' ' 22' ' ' VAL . 9.5 mtpm? -55.67 -51.8 66.03 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.979 0.418 . . . . 0.0 110.459 172.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.521 ' HG3' HG12 ' A' ' 15' ' ' ILE . 14.3 mm-40 -89.22 -8.26 53.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.054 -175.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 53.42 68.57 0.82 Allowed 'General case' 0 N--CA 1.463 0.192 0 O-C-N 124.025 0.828 . . . . 0.0 110.923 -172.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.663 ' HA ' HD21 ' B' ' 32' ' ' LEU . 32.4 m -81.8 137.95 20.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.458 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 40.4 p -83.56 168.05 24.67 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 74.2 Cg_exo -49.01 -47.53 21.34 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.256 1.97 . . . . 0.0 112.358 177.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.27 -52.95 63.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.224 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.663 HD21 ' HA ' ' B' ' 28' ' ' VAL . 59.5 tp -62.0 -41.29 97.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.104 -178.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.7 -51.75 68.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.357 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.72 -39.1 90.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.717 0.294 . . . . 0.0 111.094 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 47.8 ttp -66.12 -32.79 74.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.162 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 69.3 m -82.98 -46.56 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.883 0.373 . . . . 0.0 110.771 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.607 ' O ' HG23 ' B' ' 41' ' ' VAL . 94.0 mt -63.72 -52.81 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.443 -177.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.33 -30.32 73.8 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.074 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -69.31 -46.64 66.64 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.416 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -62.8 -39.99 95.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.824 177.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.607 HG23 ' O ' ' B' ' 37' ' ' LEU . 98.0 t -57.63 -49.54 80.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.099 176.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 41.1 m -61.61 -37.63 84.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -63.89 -33.14 75.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.004 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.416 HG12 ' O ' ' B' ' 40' ' ' ALA . 46.9 mm -79.41 -45.34 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.689 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.483 HG23 ' HG3' ' B' ' 53' ' ' ARG . 58.9 mt -63.42 -28.3 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.206 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -13.06 61.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.462 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -93.03 -2.6 55.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.299 0.571 . . . . 0.0 110.158 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -97.49 134.34 22.67 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.758 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.31 136.35 19.4 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.082 2.521 . . . . 0.0 112.282 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.459 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 24.6 mt-10 -58.48 -35.46 72.23 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -169.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 43.3 m -61.36 -26.18 67.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.773 0.32 . . . . 0.0 111.604 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -116.94 -3.97 11.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.945 0.402 . . . . 0.0 110.644 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.483 ' HG3' HG23 ' B' ' 45' ' ' ILE . 42.4 ttm180 -63.79 -42.18 97.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.55 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.46 -31.9 55.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.396 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.58 -46.52 46.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.487 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.46 -36.38 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.405 ' HB ' HD13 ' B' ' 45' ' ' ILE . 8.7 p -71.14 -36.98 64.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.407 178.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.18 -46.75 73.02 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -55.39 -41.11 72.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.623 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -61.64 -51.17 69.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.261 177.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.589 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 56.0 p -64.24 -37.95 89.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.491 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.11 -44.81 75.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.258 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.81 87.99 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.456 ' O ' HG21 ' B' ' 68' ' ' VAL . 40.3 mt -56.68 -54.74 42.66 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.546 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -52.96 -49.04 66.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.999 0.428 . . . . 0.0 111.042 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -61.47 -50.89 70.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.117 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 34.1 p -67.38 -27.97 67.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.456 HG21 ' O ' ' B' ' 64' ' ' LEU . 77.2 t -69.39 -38.59 77.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 175.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.47 -35.91 65.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.054 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' B' ' 71' ' ' HIS . 30.6 mm-40 -82.62 -26.2 32.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.727 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' B' ' 70' ' ' GLU . 50.6 t60 72.84 -52.47 0.71 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.564 0.746 . . . . 0.0 110.724 -174.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -103.58 126.58 50.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.564 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -72.84 122.36 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.442 176.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -109.52 -36.79 5.88 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.428 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -146.41 -12.89 0.46 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.078 0.466 . . . . 0.0 110.847 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 74.2 m80 . . . . . 0 C--O 1.246 0.919 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.39 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.772 0.32 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.08 152.16 50.69 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.935 2.424 . . . . 0.0 112.319 -177.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 tt -88.23 160.18 2.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.466 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.8 m -73.74 20.12 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -174.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -70.18 -27.62 64.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.879 0.371 . . . . 0.0 110.737 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -89.65 28.45 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.244 0.545 . . . . 0.0 110.149 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.401 ' HB2' ' H ' ' A' ' 8' ' ' SER . 5.9 m-85 58.95 -102.8 0.15 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.668 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.401 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 5.4 p -159.89 124.59 3.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.932 177.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -62.99 -32.54 73.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.255 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -53.96 -42.54 69.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.096 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' O ' HG13 ' A' ' 15' ' ' ILE . 72.0 ttt180 -72.97 -40.27 65.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.446 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 16' ' ' ILE . 83.5 t -55.89 -51.16 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.609 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -60.31 -37.68 81.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -65.96 -48.43 71.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.378 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 11' ' ' ARG . 70.8 mt -60.79 -42.23 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.562 0.22 . . . . 0.0 111.046 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.432 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.4 mt -59.9 -46.33 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 110.151 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.31 -40.98 97.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.434 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -39.34 93.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.41 -42.34 87.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.455 176.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 96.3 mt -63.11 -39.58 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.377 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -63.1 -31.26 72.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.0 -46.88 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.13 -37.14 84.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.3 t -75.38 -34.26 29.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.01 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HE3' ' HB3' ' A' ' 25' ' ' LYS . 2.2 tmmt? -63.25 -37.65 88.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.086 0.47 . . . . 0.0 110.029 177.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.526 ' HG3' HG12 ' B' ' 15' ' ' ILE . 70.3 mm-40 -79.29 -26.22 42.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.589 175.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 61.01 60.95 1.71 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.62 0.724 . . . . 0.0 109.607 -172.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.413 HG11 ' HB2' ' A' ' 26' ' ' GLU . 33.2 m -83.0 160.44 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.593 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 56.8 p -90.27 168.75 13.63 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 50.0 Cg_exo -54.05 -42.79 64.01 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.007 1.805 . . . . 0.0 111.2 172.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.76 -51.31 65.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.855 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD11 HG22 ' B' ' 12' ' ' VAL . 40.9 tp -63.44 -39.16 93.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.783 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.33 -53.11 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.948 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.98 -42.36 94.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.5 ttp -63.31 -42.06 98.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.963 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.6 m -70.52 -46.16 64.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.786 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.0 mt -61.29 -43.45 98.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.32 -45.2 94.54 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.461 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -67.78 -33.15 74.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.685 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.57 -42.76 91.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.68 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.0 t -65.24 -47.22 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 t -65.79 -24.72 66.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.228 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -76.89 -19.25 57.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.75 0.309 . . . . 0.0 110.975 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.4 mm -86.96 -43.09 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.239 0.542 . . . . 0.0 109.835 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.523 HG23 ' HG3' ' A' ' 53' ' ' ARG . 47.7 mt -69.72 -19.84 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.739 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.44 -9.49 58.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.739 0.304 . . . . 0.0 111.381 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -84.51 -13.99 50.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.383 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.514 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 27.6 m -100.47 159.95 28.29 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.674 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.514 ' HD2' ' HB ' ' A' ' 48' ' ' VAL . 13.8 Cg_endo -56.7 146.6 76.13 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.963 2.442 . . . . 0.0 112.027 177.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -53.96 -40.5 66.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.231 -173.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.4 m -57.38 -50.36 73.21 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.921 0.391 . . . . 0.0 111.257 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 56' ' ' VAL . 99.2 mttt -74.79 -29.88 61.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.956 0.407 . . . . 0.0 110.349 178.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.523 ' HG3' HG23 ' A' ' 45' ' ' ILE . 39.5 ttm180 -52.59 -48.55 66.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.678 -176.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.68 -43.64 90.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.582 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.27 83.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.987 0.422 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 52' ' ' LYS . 70.0 t -65.66 -49.07 80.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.51 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.0 p -66.87 -34.6 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.152 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -35.77 81.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.178 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -73.52 -39.93 64.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.88 0.372 . . . . 0.0 110.608 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -63.46 -46.79 84.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.405 HG23 HG22 ' B' ' 61' ' ' THR . 20.4 p -64.46 -34.84 79.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.085 -178.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -63.39 -48.37 78.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.325 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.88 75.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.196 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.417 ' O ' HG23 ' A' ' 68' ' ' VAL . 32.4 mt -61.79 -55.43 30.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.296 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -62.53 -36.68 83.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.795 0.331 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -60.6 -47.11 87.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.114 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 p -74.02 -32.62 63.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.558 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 64' ' ' LEU . 73.5 t -69.26 -44.93 80.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.693 0.282 . . . . 0.0 110.954 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.55 -33.92 76.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.968 0.413 . . . . 0.0 110.625 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -84.7 5.23 29.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.438 0.637 . . . . 0.0 110.246 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.53 -8.2 38.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.879 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -77.92 104.42 8.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.645 176.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.8 t60 50.34 75.17 0.18 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.644 0.59 . . . . 0.0 110.184 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -77.46 130.12 36.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -129.76 94.22 3.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.49 0.662 . . . . 0.0 110.772 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 117.905 -1.045 . . . . 0.0 108.813 177.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.9 mtt . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.426 0.155 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.402 ' HB2' ' H ' ' B' ' 3' ' ' ILE . 6.3 Cg_exo -78.39 -83.56 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.456 2.104 . . . . 0.0 110.516 170.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.402 ' H ' ' HB2' ' B' ' 2' ' ' PRO . 12.8 mt 51.87 40.64 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-O 121.554 0.692 . . . . 0.0 111.133 173.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.43 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 6.0 m -68.26 123.6 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.404 177.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.4 m -56.44 -66.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.887 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -133.16 34.59 3.55 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 174.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.43 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 50.2 m-85 73.59 153.51 0.14 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.949 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.404 ' O ' HG21 ' B' ' 12' ' ' VAL . 62.3 m -94.61 130.99 40.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.286 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -55.85 -44.35 77.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.423 -176.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -56.87 -46.95 81.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.468 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.599 ' O ' HG13 ' B' ' 15' ' ' ILE . 40.2 ttt85 -63.76 -49.67 72.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.887 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.518 HG22 HD11 ' A' ' 32' ' ' LEU . 91.0 t -58.86 -50.03 80.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.469 -178.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.403 ' HA ' HD13 ' B' ' 16' ' ' ILE . 38.3 mt-10 -67.15 -30.89 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.287 -177.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -68.25 -35.37 77.8 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.236 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.599 HG13 ' O ' ' B' ' 11' ' ' ARG . 65.9 mt -62.71 -46.91 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' B' ' 13' ' ' GLU . 53.0 mt -59.32 -47.2 91.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.357 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -62.36 -38.25 88.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.953 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.46 -36.14 71.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 110.211 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 98.3 mt -62.56 -46.34 88.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.886 173.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.474 HD22 HD11 ' B' ' 23' ' ' LEU . 96.4 mt -63.64 -31.66 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.359 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.77 -41.51 99.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.407 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.47 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 57.7 t -66.3 -33.18 61.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.185 0.517 . . . . 0.0 110.309 176.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.474 HD11 HD22 ' B' ' 20' ' ' LEU . 87.6 mt -67.75 -37.87 82.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 62.9 t -74.02 -35.6 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.063 0.459 . . . . 0.0 110.055 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 60.8 tttt -51.08 -45.91 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.86 174.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.436 ' HB2' HG13 ' B' ' 28' ' ' VAL . 46.6 mm-40 -92.08 -9.04 44.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.569 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 55.46 45.66 24.72 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.248 0.547 . . . . 0.0 109.884 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.443 HG23 HD23 ' B' ' 23' ' ' LEU . 34.1 m -63.89 151.44 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.185 -173.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 23.0 p -93.46 167.92 13.02 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.02 172.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 74.5 Cg_exo -50.53 -43.52 44.58 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.233 1.955 . . . . 0.0 112.185 176.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.77 -55.94 27.91 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.317 177.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.7 tp -67.22 -40.27 86.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.159 -174.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.12 -55.99 23.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.135 -177.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.1 -35.19 80.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.173 -176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttp -63.39 -48.51 77.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -69.95 -40.19 75.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.53 ' O ' HG23 ' B' ' 41' ' ' VAL . 80.8 mt -62.66 -44.59 95.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.675 0.274 . . . . 0.0 110.852 178.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.27 -44.33 96.59 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.66 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.447 ' HA ' HG21 ' B' ' 42' ' ' THR . 29.1 m-80 -66.03 -32.14 73.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.985 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.39 -43.53 77.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.369 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 37' ' ' LEU . 57.3 t -65.15 -46.92 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.447 HG21 ' HA ' ' B' ' 39' ' ' ASN . 12.2 t -67.2 -23.0 65.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.965 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -75.26 -39.53 59.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.185 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -69.39 -41.82 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.24 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.525 HD11 ' HB ' ' B' ' 57' ' ' VAL . 67.6 mt -66.48 -22.92 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.48 -1.8 47.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.293 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -99.65 -15.18 18.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.823 0.345 . . . . 0.0 111.086 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.466 ' HB ' ' HD2' ' B' ' 52' ' ' LYS . 30.1 m -94.95 153.22 39.94 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.528 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.481 ' HG2' ' HG2' ' B' ' 52' ' ' LYS . 9.9 Cg_endo -52.3 142.92 45.18 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.03 2.486 . . . . 0.0 111.915 177.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.492 ' HA ' ' CB ' ' B' ' 53' ' ' ARG . 32.2 mt-10 -63.59 -24.91 68.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.801 -174.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -56.73 -43.87 81.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.433 . . . . 0.0 110.609 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.481 ' HG2' ' HG2' ' B' ' 49' ' ' PRO . 19.4 ptpt -96.78 -15.86 21.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.561 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.492 ' CB ' ' HA ' ' B' ' 50' ' ' GLU . 42.1 ttm180 -57.86 -42.58 84.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.49 -175.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.95 -34.62 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.156 0.503 . . . . 0.0 110.34 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.33 -42.84 58.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.743 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.04 -35.65 75.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -176.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.525 ' HB ' HD11 ' B' ' 45' ' ' ILE . 7.1 p -76.62 -33.82 22.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.319 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' B' ' 62' ' ' LYS . 29.8 t70 -65.97 -44.21 85.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.919 0.39 . . . . 0.0 110.175 177.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -73.35 -29.28 62.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.033 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.57 -53.55 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.405 HG22 HG23 ' A' ' 61' ' ' THR . 24.3 p -65.16 -38.57 90.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.766 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.462 ' HB2' ' HE3' ' B' ' 62' ' ' LYS . 23.6 ttmt -56.91 -47.34 80.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.001 173.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.1 -32.79 72.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.391 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 58.0 mt -58.54 -49.48 77.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.679 0.276 . . . . 0.0 110.467 176.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.53 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 47.2 mttm -59.24 -42.77 91.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.867 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -61.04 -46.36 91.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.325 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.8 p -74.59 -30.34 61.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.758 -175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -71.0 -31.57 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.661 0.267 . . . . 0.0 111.284 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 80.6 mt -61.42 -53.29 58.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.607 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' B' ' 72' ' ' HIS . 35.6 mt-10 -101.32 -56.72 2.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 111.731 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 71.51 -14.54 0.48 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.181 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.485 ' H ' ' C ' ' B' ' 70' ' ' GLU . 36.9 m80 -79.34 -38.73 34.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.242 0.544 . . . . 0.0 109.849 176.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -133.85 152.47 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.004 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -89.37 62.7 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.016 0.912 . . . . 0.0 108.743 169.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -82.99 143.55 30.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.382 -1.281 . . . . 0.0 110.74 -173.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.249 179.743 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.482 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 66.4 mtt . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 1.7 Cg_endo -83.42 171.88 10.82 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.279 2.653 . . . . 0.0 111.479 177.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -88.15 114.49 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.1 153.45 8.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.649 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -146.6 -156.34 0.7 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.045 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.7 tptm 82.68 -5.46 1.33 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.768 0.827 . . . . 0.0 111.262 172.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 62.95 -166.57 0.22 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.379 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.465 ' O ' HG21 ' A' ' 12' ' ' VAL . 32.6 t -82.84 116.04 21.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.893 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -56.1 -43.32 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.391 0.432 . . . . 0.0 110.571 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.88 -44.94 91.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.511 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.528 ' O ' HG13 ' A' ' 15' ' ' ILE . 74.1 ttt180 -66.26 -42.96 87.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.735 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 8' ' ' SER . 95.2 t -57.05 -48.46 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.703 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.2 -38.42 91.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.938 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -63.16 -42.42 99.41 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.635 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 11' ' ' ARG . 80.0 mt -62.12 -46.14 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.734 0.302 . . . . 0.0 110.513 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.46 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.6 mt -58.67 -46.01 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.276 177.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -65.33 -38.54 90.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.671 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -62.78 -40.68 98.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.247 0.546 . . . . 0.0 109.842 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.65 -43.24 90.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.596 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.6 mt -61.7 -35.23 77.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.632 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -59.2 -43.33 92.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.277 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.97 -43.61 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.076 0.465 . . . . 0.0 110.701 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.407 HD11 HD21 ' A' ' 20' ' ' LEU . 90.7 mt -62.07 -41.73 98.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.357 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.0 t -75.02 -33.11 28.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.083 0.468 . . . . 0.0 110.516 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 34.8 ttmt -60.33 -40.12 89.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.554 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.512 ' HG3' HG12 ' B' ' 15' ' ' ILE . 67.5 mm-40 -88.84 -7.43 56.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.87 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 52.36 53.13 12.86 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.766 -174.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.72 137.93 23.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.443 0.639 . . . . 0.0 111.645 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.497 HG21 ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -83.36 151.02 61.76 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.958 174.385 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.846 ' HB3' HG21 ' B' ' 48' ' ' VAL . 2.7 Cg_exo -36.35 -58.57 0.49 Allowed 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.919 3.08 . . . . 0.0 113.554 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.0 -52.8 59.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -59.61 -44.71 93.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.274 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.7 76.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.157 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 99.1 mt -59.33 -42.87 92.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.7 ttp -61.85 -44.3 97.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.6 m -68.89 -48.08 64.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.823 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.532 ' O ' HG21 ' A' ' 41' ' ' VAL . 98.0 mt -60.96 -42.42 98.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.82 96.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.915 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -66.82 -36.51 82.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.685 0.243 . . . . 0.0 111.092 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.95 -47.36 80.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.56 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 37' ' ' LEU . 48.3 t -60.87 -50.87 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.524 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.0 m -57.52 -29.94 64.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.778 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -75.84 -46.7 28.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.333 -0.229 . . . . 0.0 111.272 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 tt -74.71 -26.53 19.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.498 -174.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 41' ' ' VAL . 70.4 mt -65.53 -29.49 47.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.032 0.444 . . . . 0.0 110.308 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.1 -21.05 63.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -78.69 -24.2 45.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.947 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' B' ' 30' ' ' PRO . 19.4 t -72.08 135.98 82.31 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.557 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.91 139.16 78.87 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.821 2.347 . . . . 0.0 111.747 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -52.69 -35.41 55.38 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.337 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 t -54.81 -30.06 56.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.492 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HG3' HG13 ' A' ' 48' ' ' VAL . 20.2 ptmt -125.03 2.24 7.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.842 0.353 . . . . 0.0 111.072 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -68.73 -34.5 75.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.5 t -75.92 -40.8 38.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.28 93.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.761 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.33 -35.85 75.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.67 HG23 ' HG2' ' B' ' 65' ' ' LYS . 14.0 p -78.93 -35.53 17.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.84 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.76 -50.46 72.28 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.992 0.425 . . . . 0.0 110.168 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -67.21 -28.79 68.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.185 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -62.74 -52.63 62.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.043 0.449 . . . . 0.0 109.889 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.447 HG23 ' HG3' ' B' ' 65' ' ' LYS . 47.0 p -67.41 -31.54 71.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.848 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -60.63 -54.46 45.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.231 174.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.14 99.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.887 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 68' ' ' VAL . 16.8 mt -53.19 -68.78 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' B' ' 58' ' ' ASP . 53.7 mtmt -63.1 -38.49 91.38 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -172.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -64.83 -41.87 95.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.703 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.466 ' HG ' HG21 ' B' ' 42' ' ' THR . 10.9 t -70.57 -36.7 73.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.73 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 64' ' ' LEU . 74.9 t -66.83 -31.83 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 111.142 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.4 mt -71.09 -35.03 71.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.92 0.391 . . . . 0.0 110.582 176.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -77.65 -47.0 20.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.128 0.49 . . . . 0.0 110.742 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -90.26 24.59 2.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.757 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -54.35 -42.71 70.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.008 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.57 104.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.714 174.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -76.68 69.54 3.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.497 0.665 . . . . 0.0 110.326 -177.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -89.88 -31.12 17.46 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.97 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 . . . . . 0 C--O 1.25 1.112 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.493 174.882 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -85.61 -166.41 0.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 123.107 2.538 . . . . 0.0 112.154 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 67.9 mt -71.04 102.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.339 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.52 131.01 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.224 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -133.88 -54.05 0.87 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.411 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -99.35 16.47 22.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.295 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 61.27 -158.86 0.33 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.709 -176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.405 ' O ' HG22 ' B' ' 12' ' ' VAL . 20.6 m -100.08 113.79 26.67 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 171.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -63.63 -24.55 67.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.688 0.28 . . . . 0.0 110.469 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.34 -44.49 95.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.127 172.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.566 ' O ' HG13 ' B' ' 15' ' ' ILE . 31.9 ttt180 -73.1 -36.86 66.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.377 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.405 HG22 ' O ' ' B' ' 8' ' ' SER . 62.6 t -58.3 -44.3 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -61.61 -41.66 97.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.855 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -58.91 -50.03 75.56 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.738 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.3 mt -57.65 -48.25 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.764 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.54 -43.82 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.396 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -64.62 -38.65 91.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.131 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.91 -37.06 81.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.604 0.24 . . . . 0.0 110.839 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 94.8 mt -62.17 -48.26 80.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.954 0.407 . . . . 0.0 109.978 175.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.433 HD22 HD13 ' B' ' 23' ' ' LEU . 95.5 mt -65.3 -32.23 73.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.342 177.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -60.82 -44.53 96.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.646 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.63 -36.18 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.172 0.51 . . . . 0.0 110.427 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.55 HD23 HG23 ' B' ' 28' ' ' VAL . 81.7 mt -66.16 -36.49 83.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.712 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.424 HG21 ' O ' ' B' ' 20' ' ' LEU . 92.1 t -76.07 -38.33 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.267 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -52.24 -44.31 64.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.175 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.499 ' HG3' HG12 ' A' ' 15' ' ' ILE . 54.1 mm-40 -89.82 -13.95 35.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.026 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 50.65 57.14 6.95 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.394 0.616 . . . . 0.0 109.965 -170.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.55 HG23 HD23 ' B' ' 23' ' ' LEU . 22.4 m -70.6 161.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.362 -175.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 60.4 p -93.41 163.37 24.97 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.276 173.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.506 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 84.4 Cg_exo -48.71 -48.08 18.83 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.219 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.35 -43.93 93.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.982 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.91 -40.95 95.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.79 79.16 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.855 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 94.6 mt -59.09 -44.46 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.406 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 48.0 ttp -62.5 -39.92 95.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.261 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m -74.44 -49.17 23.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.758 0.313 . . . . 0.0 111.161 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.586 ' O ' HG21 ' B' ' 41' ' ' VAL . 96.8 mt -63.44 -50.27 70.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.65 -34.96 91.13 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.593 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' B' ' 35' ' ' MET . 22.4 t-20 -67.97 -41.55 82.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.471 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -63.93 -44.17 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.908 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.586 HG21 ' O ' ' B' ' 37' ' ' LEU . 94.3 t -56.73 -40.37 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.637 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.466 HG21 ' HG ' ' A' ' 67' ' ' SER . 54.7 m -59.59 -40.13 86.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.245 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -78.63 -22.84 46.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.247 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.471 HG12 ' O ' ' B' ' 40' ' ' ALA . 38.6 mm -74.31 -45.18 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.92 0.39 . . . . 0.0 110.34 177.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.522 HD11 ' HB ' ' B' ' 57' ' ' VAL . 77.8 mt -63.17 -26.97 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.793 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.72 -16.97 62.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -91.39 -25.59 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.24 0.543 . . . . 0.0 110.119 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.846 HG21 ' HB3' ' A' ' 30' ' ' PRO . 34.5 t -64.83 141.89 98.45 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.527 176.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.524 ' HB2' ' HG2' ' B' ' 52' ' ' LYS . 68.9 Cg_exo -39.49 125.84 1.43 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.177 2.585 . . . . 0.0 112.891 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.467 ' HA ' ' HG3' ' B' ' 53' ' ' ARG . 29.3 tt0 -54.48 -38.89 66.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.544 -171.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -62.45 -25.27 67.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.524 ' HG2' ' HB2' ' B' ' 49' ' ' PRO . 19.4 ptpt -110.38 2.32 18.96 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.842 -176.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.467 ' HG3' ' HA ' ' B' ' 50' ' ' GLU . 84.5 mtt180 -58.87 -42.65 89.94 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.609 0.242 . . . . 0.0 111.625 -176.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.61 -36.19 73.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.296 0.57 . . . . 0.0 110.524 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.24 -47.63 60.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.241 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.38 -34.19 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -176.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.522 ' HB ' HD11 ' B' ' 45' ' ' ILE . 12.3 p -73.89 -36.96 46.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.971 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.506 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 36.8 t70 -71.69 -43.32 66.17 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.208 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -62.86 -32.84 74.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.143 175.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -62.94 -51.69 65.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.685 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.4 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 50.2 p -65.11 -35.42 81.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.242 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.4 ' HZ1' ' CG ' ' B' ' 58' ' ' ASP . 13.9 mptt -58.91 -58.04 10.4 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.578 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.17 84.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.472 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.415 ' O ' HG22 ' B' ' 68' ' ' VAL . 9.3 mt -53.68 -66.41 0.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.425 177.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.67 ' HG2' HG23 ' A' ' 57' ' ' VAL . 41.5 mtmt -69.16 -19.33 64.0 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.349 -173.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -68.26 -43.81 77.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.985 0.422 . . . . 0.0 110.107 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.0 m -87.37 -18.82 29.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.623 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.415 HG22 ' O ' ' B' ' 64' ' ' LEU . 54.5 t -82.12 -50.02 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.67 -49.97 71.1 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.947 0.403 . . . . 0.0 110.461 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.87 86.18 2.85 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 172.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -99.82 139.32 35.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.331 -169.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -74.26 142.52 45.29 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -102.79 115.43 30.57 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -175.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -116.45 96.48 5.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.752 0.787 . . . . 0.0 109.801 177.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -161.23 108.07 1.44 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.965 -175.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.585 -0.722 . . . . 0.0 109.912 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.643 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 119.681 -0.2 . . . . 0.0 110.563 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.643 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 86.1 Cg_endo -78.59 179.69 6.26 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 121.823 1.682 . . . . 0.0 112.245 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.426 HG12 ' HG ' ' A' ' 5' ' ' SER . 12.2 tt -84.31 129.84 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.151 0.5 . . . . 0.0 110.667 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.4 t -81.74 -29.67 10.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.21 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.426 ' HG ' HG12 ' A' ' 3' ' ' ILE . 19.5 m 63.6 56.22 1.61 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.018 178.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -87.22 -31.04 20.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.536 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 65.09 -169.16 0.2 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.439 -178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 m -113.85 139.15 49.4 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.674 176.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -54.71 -38.2 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.716 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.74 -30.98 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.445 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.573 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.6 ttt-85 -69.64 -47.97 61.55 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.503 HG13 ' HG ' ' B' ' 36' ' ' CYS . 58.7 t -62.69 -39.48 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.446 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -55.39 -48.72 73.9 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.225 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -63.41 -45.31 91.57 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.491 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 11' ' ' ARG . 72.4 mt -56.47 -47.95 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.641 0.257 . . . . 0.0 110.826 -177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.87 -40.55 87.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.06 0.457 . . . . 0.0 110.171 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -62.81 -47.83 81.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.367 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.43 -44.93 85.06 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.903 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 82.4 mt -60.63 -52.4 65.33 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.253 0.549 . . . . 0.0 110.822 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.411 HD21 HD12 ' A' ' 23' ' ' LEU . 84.8 mt -65.25 -33.63 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.398 -178.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -62.66 -44.76 95.45 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.41 -43.03 93.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.28 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 HD12 HD21 ' A' ' 20' ' ' LEU . 98.7 mt -61.75 -47.3 85.84 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.083 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 20' ' ' LEU . 96.0 t -67.32 -38.34 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.832 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -58.12 -43.65 87.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.143 0.497 . . . . 0.0 110.658 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -79.56 -6.48 57.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.328 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.25 43.07 29.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.0 m -65.97 146.36 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.04 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 p -81.35 161.74 61.19 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 52.0 Cg_exo -53.82 -36.09 81.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 121.845 1.696 . . . . 0.0 110.971 174.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.45 -55.14 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.608 176.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.594 HD11 HG21 ' B' ' 12' ' ' VAL . 53.1 tp -62.72 -40.83 98.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.154 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.74 -45.06 95.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.291 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.5 mt -64.22 -37.59 88.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.727 0.298 . . . . 0.0 110.898 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.5 ttp -68.02 -30.12 69.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.762 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.3 m -81.71 -50.21 9.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.9 0.381 . . . . 0.0 110.592 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.8 mt -64.9 -50.24 67.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.561 -176.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.59 82.04 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.208 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -70.21 -42.15 72.7 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -61.91 -43.74 98.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.667 176.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 37' ' ' LEU . 78.2 t -57.48 -47.83 84.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.27 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.4 m -61.25 -35.63 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.93 -25.79 60.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.597 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 40' ' ' ALA . 40.0 mm -83.69 -45.0 18.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.025 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.452 HD13 ' HB ' ' A' ' 57' ' ' VAL . 64.7 mt -62.33 -26.86 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 121.089 0.471 . . . . 0.0 111.084 -178.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.2 -22.88 65.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.448 . . . . 0.0 110.892 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -93.04 -8.86 41.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.254 0.549 . . . . 0.0 110.449 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.605 HG23 ' HB3' ' B' ' 30' ' ' PRO . 58.3 t -79.16 136.01 57.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.662 178.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -59.23 140.81 96.45 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.681 2.254 . . . . 0.0 111.982 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.8 -32.7 20.82 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.156 -176.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 m -53.32 -31.38 43.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -129.73 5.67 5.08 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.268 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -61.19 -44.33 97.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 111.184 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.0 -33.74 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.507 0.67 . . . . 0.0 110.073 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.57 -45.55 68.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.354 -177.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.7 m -63.52 -41.32 92.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.452 ' HB ' HD13 ' A' ' 45' ' ' ILE . 7.1 p -70.93 -35.53 60.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.989 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.82 -43.69 65.16 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.245 178.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.69 -39.32 91.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.754 0.311 . . . . 0.0 110.304 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 63.5 t80 -57.44 -55.7 31.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.363 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.674 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 21.3 p -64.58 -38.57 91.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.707 -176.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -62.37 -57.84 9.84 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.079 0.466 . . . . 0.0 110.761 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.37 -36.95 83.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.164 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.531 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 1.2 tt -59.99 -51.48 69.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.197 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.655 ' HZ2' ' HB2' ' A' ' 65' ' ' LYS . 10.3 mtmp? -58.55 -46.11 87.54 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.264 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.84 -23.7 61.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.843 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 m -81.89 -17.92 45.55 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.239 0.543 . . . . 0.0 110.752 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.3 t -85.1 -42.19 16.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 174.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 tt -66.14 -63.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.443 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -87.27 59.07 5.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.249 0.547 . . . . 0.0 109.745 176.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -74.22 -61.61 1.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.029 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.533 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -178.64 -154.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.222 178.003 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.533 ' HB2' ' O ' ' A' ' 72' ' ' HIS . 27.0 m80 75.34 97.11 0.07 Allowed 'General case' 0 N--CA 1.466 0.375 0 O-C-N 124.026 0.829 . . . . 0.0 109.792 -168.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -80.5 107.57 13.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.644 0.735 . . . . 0.0 109.096 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -81.47 -27.56 34.53 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 66.7 t60 . . . . . 0 C--O 1.244 0.812 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.56 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -73.89 91.11 0.92 Allowed 'Trans proline' 0 C--O 1.238 0.476 0 C-N-CA 122.798 2.332 . . . . 0.0 111.846 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 58.3 mt -114.66 97.88 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.081 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.4 ' C ' ' HG ' ' B' ' 5' ' ' SER . 41.7 t -110.7 142.94 21.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.934 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.4 ' HG ' ' C ' ' B' ' 4' ' ' VAL . 77.3 p 51.84 -140.97 0.84 Allowed 'General case' 0 CA--C 1.535 0.386 0 O-C-N 123.802 0.689 . . . . 0.0 111.412 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt 70.45 -70.08 0.16 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.441 0.696 . . . . 0.0 111.127 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 56.97 -155.3 0.32 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.583 0.552 . . . . 0.0 110.203 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.517 ' O ' HG23 ' B' ' 12' ' ' VAL . 13.7 t -127.27 118.17 23.7 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.76 -32.48 65.65 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.2 0.313 . . . . 0.0 110.758 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -55.45 -54.24 46.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.168 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.545 ' O ' HG13 ' B' ' 15' ' ' ILE . 63.8 ttt180 -66.42 -43.46 85.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.033 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.594 HG21 HD11 ' A' ' 32' ' ' LEU . 91.9 t -55.7 -57.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.524 -177.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.48 ' HA ' HD11 ' B' ' 16' ' ' ILE . 38.6 mt-10 -73.05 -19.77 61.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.057 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -73.61 -36.33 65.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.112 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.552 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 88.5 mt -61.14 -46.26 96.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 174.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.48 HD11 ' HA ' ' B' ' 13' ' ' GLU . 63.5 mt -56.85 -46.72 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.411 175.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -57.46 -45.68 84.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.392 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.415 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.2 t0 -65.77 -37.13 85.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 86.5 mt -65.48 -46.4 79.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.089 0.471 . . . . 0.0 110.315 175.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 93.7 mt -61.68 -39.18 90.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.707 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.7 -41.66 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.879 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 99.9 t -60.49 -45.69 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.244 176.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.67 -44.34 97.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.402 HG22 ' O ' ' B' ' 20' ' ' LEU . 98.3 t -68.13 -42.5 85.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.073 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -58.46 -45.29 88.89 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.041 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 62.9 mm-40 -76.73 -11.44 59.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.7 -175.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 60.08 37.04 21.24 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.364 0.415 . . . . 0.0 111.039 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m -70.9 150.56 9.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.998 0.427 . . . . 0.0 111.309 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.8 p -79.11 156.7 76.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.576 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.605 ' HB3' HG23 ' A' ' 48' ' ' VAL . 61.5 Cg_exo -52.01 -49.09 18.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.589 2.193 . . . . 0.0 112.601 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.35 -39.59 93.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.104 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.416 HD11 ' HE2' ' B' ' 35' ' ' MET . 59.1 tp -67.03 -46.79 73.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.543 178.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.87 77.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.125 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.41 -37.65 86.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.416 ' HE2' HD11 ' B' ' 32' ' ' LEU . 55.2 ttp -62.42 -46.23 89.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 110.416 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.503 ' HG ' HG13 ' A' ' 12' ' ' VAL . 76.5 m -66.19 -43.85 85.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 178.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.444 ' O ' HG21 ' B' ' 41' ' ' VAL . 93.7 mt -60.91 -43.91 97.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.812 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.13 -41.72 94.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.464 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -43.63 96.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.679 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.445 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -58.58 -49.45 77.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.873 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.444 HG21 ' O ' ' B' ' 37' ' ' LEU . 61.0 t -59.62 -44.76 94.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 51.1 m -59.5 -34.45 72.61 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.508 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -75.93 -32.31 59.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.668 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.445 HG12 ' O ' ' B' ' 40' ' ' ALA . 46.2 mm -67.53 -43.94 86.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.015 0.436 . . . . 0.0 110.636 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 62.7 mt -68.93 -18.82 23.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.269 0.557 . . . . 0.0 110.663 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.4 59.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.296 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -81.99 -28.65 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.311 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.539 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 26.8 m -85.95 161.13 50.89 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.734 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' B' ' 48' ' ' VAL . 13.4 Cg_endo -57.66 147.13 81.56 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.795 2.33 . . . . 0.0 111.991 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.501 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 36.5 mt-10 -64.28 -26.55 68.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.198 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -58.31 -32.19 68.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.051 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.459 ' O ' HG21 ' B' ' 56' ' ' VAL . 19.2 ptpt -108.12 -8.62 15.76 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 120.432 -0.507 . . . . 0.0 112.028 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.501 ' NH1' ' HG2' ' B' ' 50' ' ' GLU . 92.6 mtt180 -57.31 -46.99 82.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 117.934 0.334 . . . . 0.0 111.268 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 39.5 t -70.79 -34.48 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.104 0.478 . . . . 0.0 110.34 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -46.79 69.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.508 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.459 HG21 ' O ' ' B' ' 52' ' ' LYS . 26.9 m -69.64 -40.4 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.366 -177.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -67.6 -34.28 67.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.114 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.69 -47.35 63.54 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.185 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -62.31 -35.63 79.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.284 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -58.43 -50.74 72.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.395 174.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.674 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 46.5 p -69.18 -37.53 78.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.59 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.12 -45.1 96.07 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.154 0.502 . . . . 0.0 110.047 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.53 -50.08 75.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.747 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.3 -52.27 46.72 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.35 0.406 . . . . 0.0 111.554 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -53.71 -52.85 58.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.773 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.85 -17.78 55.06 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -175.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.614 ' O ' ' HB2' ' B' ' 71' ' ' HIS . 64.0 m -83.3 -26.94 30.17 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.201 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.0 t -87.67 -53.02 10.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.607 0.242 . . . . 0.0 111.096 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.08 -14.28 61.81 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -173.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -118.87 19.5 13.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.396 0.617 . . . . 0.0 109.987 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . 0.614 ' HB2' ' O ' ' B' ' 67' ' ' SER . 15.4 t-80 -82.5 2.48 32.69 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.101 -176.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.38 77.29 3.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.237 0.542 . . . . 0.0 111.625 -177.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -102.12 -80.52 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.354 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 43.2 m80 57.82 24.86 11.28 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.636 0.585 . . . . 0.0 110.667 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -150.22 149.17 29.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.825 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.566 -0.73 . . . . 0.0 109.154 173.327 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.849 ' H3 ' ' HD2' ' A' ' 2' ' ' PRO . 51.2 ttm . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.849 ' HD2' ' H3 ' ' A' ' 1' ' ' MET . 13.8 Cg_endo -58.15 -174.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.986 1.791 . . . . 0.0 112.119 171.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.2 tt -48.97 112.26 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 121.591 0.71 . . . . 0.0 111.417 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.3 p -102.32 114.46 41.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.671 0.748 . . . . 0.0 111.48 -174.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 p -94.65 3.93 54.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.18 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HZ1' ' HB2' ' A' ' 6' ' ' LYS . 10.4 mtmp? 65.66 14.84 9.75 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.776 -176.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 67.31 127.21 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.844 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 m -78.02 109.68 12.3 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 174.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -51.77 -43.64 63.07 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.222 0.326 . . . . 0.0 110.701 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -58.23 -43.22 87.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.941 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' O ' HG13 ' A' ' 15' ' ' ILE . 55.4 ttt180 -66.42 -45.53 79.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.58 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.411 HG22 HD11 ' B' ' 32' ' ' LEU . 47.8 t -59.59 -44.87 94.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.194 0.521 . . . . 0.0 110.013 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -56.9 -42.37 79.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.562 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -65.78 -49.3 68.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.252 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 11' ' ' ARG . 79.5 mt -56.87 -44.13 81.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.745 -178.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.482 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.0 mt -60.78 -40.36 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.221 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -64.77 -46.36 82.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.549 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -57.55 -38.47 74.82 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.994 0.426 . . . . 0.0 110.682 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 96.6 mt -65.0 -44.27 89.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.42 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 97.1 mt -63.05 -37.28 86.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.616 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.77 -43.83 90.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.71 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.82 -41.74 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.669 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 HG22 ' A' ' 28' ' ' VAL . 89.8 mt -60.58 -45.83 92.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.836 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.07 -39.75 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.03 0.443 . . . . 0.0 110.313 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -55.08 -34.31 63.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.586 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HG3' HG12 ' B' ' 15' ' ' ILE . 81.2 mm-40 -98.6 -9.9 24.15 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -177.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 55.3 46.94 22.52 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.411 0.624 . . . . 0.0 110.284 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.466 HG12 ' HB2' ' A' ' 26' ' ' GLU . 17.2 m -65.93 119.49 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.007 -175.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.517 HG23 ' H ' ' A' ' 32' ' ' LEU . 9.1 t -67.05 149.99 98.19 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 169.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -40.62 -44.3 4.5 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.131 2.554 . . . . 0.0 113.271 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -56.66 18.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.295 0.569 . . . . 0.0 110.295 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.517 ' H ' HG23 ' A' ' 29' ' ' THR . 60.5 tp -63.07 -42.99 99.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.704 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.05 -57.75 11.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.093 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.79 -33.22 75.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.201 -176.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.4 ttp -64.42 -49.08 72.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.661 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.2 m -67.5 -43.54 80.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.96 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.469 HD13 HG23 ' B' ' 41' ' ' VAL . 96.1 mt -61.09 -45.88 92.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.867 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.35 -45.92 93.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.759 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -68.54 -37.6 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.608 0.242 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -60.49 -49.89 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.563 177.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.593 HG13 ' CE2' ' A' ' 60' ' ' PHE . 78.8 t -61.69 -41.4 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.718 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.452 ' HA ' HG23 ' B' ' 68' ' ' VAL . 99.3 m -56.61 -44.77 81.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 178.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.537 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 59.1 t30 -65.94 -36.93 84.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.799 0.333 . . . . 0.0 110.567 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 40' ' ' ALA . 42.2 mm -63.42 -49.64 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.926 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.502 HG22 ' HG3' ' A' ' 53' ' ' ARG . 55.0 mt -73.33 -21.61 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.095 0.474 . . . . 0.0 110.934 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.56 -18.46 62.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.992 0.425 . . . . 0.0 110.859 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 69.1 mt-30 -83.36 -8.6 59.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.454 0.645 . . . . 0.0 109.902 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -91.85 127.53 49.54 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.55 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -51.67 136.75 50.28 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.878 2.385 . . . . 0.0 112.219 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.26 -21.92 37.77 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -175.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -59.9 -34.64 73.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.813 0.339 . . . . 0.0 111.148 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -125.47 15.96 8.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.103 0.478 . . . . 0.0 110.808 -177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.502 ' HG3' HG22 ' A' ' 45' ' ' ILE . 42.2 ttm180 -80.12 -36.57 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.909 -177.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.85 -39.48 84.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.26 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -49.76 76.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.444 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.5 m -71.19 -41.24 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 ' HG2' ' B' ' 65' ' ' LYS . 10.8 p -68.85 -32.93 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.255 -178.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -75.47 -36.31 60.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 110.495 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -72.12 -35.73 69.21 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.768 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.593 ' CE2' HG13 ' A' ' 41' ' ' VAL . 73.3 t80 -58.62 -54.62 45.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.401 0.62 . . . . 0.0 110.153 175.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.589 HG23 HG22 ' B' ' 61' ' ' THR . 16.7 p -68.08 -37.43 81.22 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.429 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.701 ' HB2' ' HZ2' ' A' ' 62' ' ' LYS . 4.5 ttmp? -56.3 -47.72 78.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.714 173.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.37 -36.67 79.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.315 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.479 ' O ' HG22 ' A' ' 68' ' ' VAL . 9.6 mt -55.78 -59.76 4.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.382 177.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HG2' HG23 ' B' ' 57' ' ' VAL . 58.7 mtmt -60.96 -35.26 76.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.002 -176.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.6 -48.63 76.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.099 0.476 . . . . 0.0 110.746 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -74.22 -9.94 59.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.519 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 64' ' ' LEU . 78.1 t -91.3 -46.86 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.343 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 89.5 mt -62.95 -38.76 92.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.054 0.454 . . . . 0.0 110.5 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -114.06 48.82 1.05 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.42 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.468 ' HE1' HG21 ' B' ' 42' ' ' THR . 19.2 t60 -76.38 79.65 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.423 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -62.55 107.4 0.93 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.886 174.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -91.33 -24.72 19.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.556 -173.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -116.75 142.41 46.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.894 0.378 . . . . 0.0 111.414 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -163.78 -174.56 3.71 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 175.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.377 -0.821 . . . . 0.0 109.66 177.776 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.791 ' HB3' ' HD3' ' B' ' 2' ' ' PRO . 48.0 ttm . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 119.614 -0.232 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.791 ' HD3' ' HB3' ' B' ' 1' ' ' MET . 20.1 Cg_exo -66.14 145.79 79.79 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.932 1.755 . . . . 0.0 111.786 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.0 pt -97.16 -15.77 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.58 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -80.25 -36.65 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.191 0.52 . . . . 0.0 110.055 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 10.3 m -86.08 87.32 7.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.667 176.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.35 93.0 9.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.846 0.832 . . . . 0.0 111.157 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -82.04 127.65 33.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.161 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.481 ' O ' HG22 ' B' ' 12' ' ' VAL . 35.3 t -110.08 176.65 4.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.514 -178.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -56.68 -29.17 62.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.6 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -48.66 -52.8 21.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.616 174.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.581 ' O ' HG13 ' B' ' 15' ' ' ILE . 56.0 ttt180 -82.76 -33.44 27.41 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.834 -175.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.488 ' O ' HG13 ' B' ' 16' ' ' ILE . 91.3 t -56.52 -53.61 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.59 0.233 . . . . 0.0 110.464 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -67.43 -35.67 79.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.548 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -54.03 -48.95 69.97 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.142 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.581 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.0 mt -66.97 -41.15 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.985 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 12' ' ' VAL . 83.1 mt -58.42 -47.6 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.697 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -67.73 -36.17 80.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.764 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.9 -49.65 76.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.338 0.59 . . . . 0.0 109.765 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.19 -47.25 87.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.902 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 78.4 mt -62.21 -39.96 94.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -60.37 -43.61 96.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.53 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 91.1 t -57.41 -47.48 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.99 0.424 . . . . 0.0 110.472 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.34 -48.92 75.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.238 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.18 -35.65 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.027 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -59.5 -38.59 81.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.441 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -83.47 -11.83 57.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.392 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 59.2 41.55 20.05 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.493 0.496 . . . . 0.0 110.904 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.35 139.0 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.039 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.55 HG23 ' H ' ' B' ' 32' ' ' LEU . 5.8 t -70.99 147.3 93.81 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.379 175.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.52 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 98.3 Cg_exo -43.86 -41.86 11.99 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.195 2.597 . . . . 0.0 113.274 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -64.33 -47.0 81.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.03 0.443 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.55 ' H ' HG23 ' B' ' 29' ' ' THR . 62.4 tp -62.14 -40.85 97.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.369 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.61 76.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.666 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 84.5 mt -60.99 -40.62 94.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.976 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.4 ttp -63.64 -42.17 98.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.887 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.8 m -71.23 -48.74 49.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.657 0.265 . . . . 0.0 110.785 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.46 ' O ' HG22 ' B' ' 41' ' ' VAL . 96.8 mt -62.54 -38.51 90.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.057 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.14 -44.59 96.26 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.426 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.518 ' HA ' HG22 ' B' ' 42' ' ' THR . 30.9 m-80 -68.31 -32.09 71.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.803 0.335 . . . . 0.0 110.958 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.482 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -66.18 -49.02 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.469 HG23 HD13 ' A' ' 37' ' ' LEU . 71.1 t -65.53 -44.26 94.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.09 -178.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.518 HG22 ' HA ' ' B' ' 39' ' ' ASN . 14.7 t -65.25 -25.01 67.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.281 -175.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -84.11 -21.36 31.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.316 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.482 HG12 ' O ' ' B' ' 40' ' ' ALA . 49.1 mm -77.64 -42.3 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.703 175.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.517 HG22 ' HG3' ' B' ' 53' ' ' ARG . 54.4 mt -69.58 -20.12 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.435 0.636 . . . . 0.0 110.209 178.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.43 -4.05 49.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.219 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -90.88 -29.78 17.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.463 HG21 ' O ' ' B' ' 45' ' ' ILE . 32.5 m -80.11 152.81 74.34 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.38 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -57.67 148.42 74.06 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.996 2.464 . . . . 0.0 112.446 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.41 -9.64 43.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 111.358 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.6 t -74.04 -18.13 60.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.558 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.458 ' O ' HG22 ' B' ' 56' ' ' VAL . 28.6 mtpp -125.43 -15.5 6.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.706 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.517 ' HG3' HG22 ' B' ' 45' ' ' ILE . 39.4 ttm180 -57.72 -45.96 85.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.323 -171.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.9 t -71.52 -38.34 67.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.089 0.471 . . . . 0.0 110.156 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.46 88.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.753 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.458 HG22 ' O ' ' B' ' 52' ' ' LYS . 69.9 t -63.35 -47.41 92.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.544 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.488 HG23 ' HG2' ' A' ' 65' ' ' LYS . 8.6 p -68.15 -38.74 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.412 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.49 -46.61 79.05 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 109.973 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.11 -38.81 92.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.031 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.436 ' CE2' HG12 ' B' ' 41' ' ' VAL . 73.7 t80 -59.95 -56.32 23.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.057 176.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.589 HG22 HG23 ' A' ' 61' ' ' THR . 19.2 p -63.98 -41.17 97.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.972 -177.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' B' ' 62' ' ' LYS . 32.6 ttmt -56.73 -55.99 27.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.781 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.32 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.511 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.25 -45.43 93.33 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.34 0.4 . . . . 0.0 110.662 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.516 ' HG2' HG23 ' A' ' 57' ' ' VAL . 7.8 mtmp? -63.22 -36.79 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.196 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.62 -45.07 88.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.384 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.526 ' O ' ' HB2' ' B' ' 71' ' ' HIS . 11.8 p -71.9 -28.94 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.284 -178.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.452 HG23 ' HA ' ' A' ' 42' ' ' THR . 55.3 t -75.47 -40.44 41.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 177.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 69.3 mt -62.7 -50.75 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.718 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -126.0 90.17 3.15 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.641 0.734 . . . . 0.0 111.381 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . 0.526 ' HB2' ' O ' ' B' ' 67' ' ' SER . 18.4 t60 -116.15 36.56 4.01 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 169.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 68.37 74.02 0.28 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 113.961 -1.472 . . . . 0.0 108.239 -164.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -54.8 152.43 7.23 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.99 -176.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -85.86 81.11 8.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.287 0.565 . . . . 0.0 111.245 -167.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -107.34 5.45 27.46 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 172.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 . . . . . 0 C--O 1.244 0.771 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.429 177.222 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.71 107.36 0.87 Allowed 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.438 2.092 . . . . 0.0 111.467 176.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 pt -80.22 153.62 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 t -88.5 142.46 12.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 p -69.53 -55.52 9.94 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -175.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -104.54 -16.91 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.167 -0.213 . . . . 0.0 111.176 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 62.24 -160.37 0.31 Allowed 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.571 0.544 . . . . 0.0 110.628 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 p -105.51 123.85 48.58 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.776 176.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -46.41 80.57 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.321 0.582 . . . . 0.0 110.022 -176.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.35 -42.98 67.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.926 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.577 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.5 ttt180 -74.96 -41.88 58.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.995 -177.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 16' ' ' ILE . 93.6 t -55.85 -46.28 80.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 120.714 0.292 . . . . 0.0 110.673 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.35 -25.95 60.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -68.5 -38.99 81.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.015 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 11' ' ' ARG . 74.4 mt -62.91 -46.22 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.913 176.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.429 HG22 ' HB1' ' B' ' 40' ' ' ALA . 69.5 mt -58.13 -42.03 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.209 176.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -61.35 -46.98 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.674 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.29 -41.13 75.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.602 0.239 . . . . 0.0 111.167 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 HD12 HD23 ' B' ' 37' ' ' LEU . 78.7 mt -62.64 -46.38 88.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 110.455 177.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' O ' HG21 ' A' ' 24' ' ' VAL . 96.9 mt -60.87 -40.06 91.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.753 178.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.11 -43.59 82.45 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.096 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.6 t -61.71 -44.93 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.074 0.464 . . . . 0.0 110.76 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.06 -44.37 92.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.906 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 20' ' ' LEU . 98.7 t -69.78 -31.55 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.931 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -64.23 -36.18 83.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.837 0.351 . . . . 0.0 110.6 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.487 ' HB2' HG12 ' A' ' 28' ' ' VAL . 56.6 mm-40 -84.36 -16.55 42.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.791 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 57.77 53.98 6.62 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.182 0.515 . . . . 0.0 109.696 -173.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.487 HG12 ' HB2' ' A' ' 26' ' ' GLU . 35.2 m -76.29 145.03 11.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.606 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 32' ' ' LEU . 1.2 t -75.63 145.85 79.37 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 171.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -45.98 -39.67 19.88 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.025 2.483 . . . . 0.0 112.9 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.68 -50.09 73.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.022 0.439 . . . . 0.0 110.561 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.638 HD13 HG22 ' B' ' 12' ' ' VAL . 63.2 tp -63.87 -42.56 97.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.516 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.79 -52.55 64.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.075 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.17 -40.19 95.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.044 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.64 -38.63 91.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.769 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.6 m -73.2 -45.84 53.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.414 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.52 ' O ' HG21 ' A' ' 41' ' ' VAL . 94.9 mt -60.73 -42.68 97.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.187 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.81 -42.97 92.25 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.345 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -68.68 -38.18 80.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.648 0.261 . . . . 0.0 110.611 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -63.7 -46.93 83.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.75 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 37' ' ' LEU . 99.6 t -59.07 -49.47 83.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.355 178.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.6 m -58.86 -36.78 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.221 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -68.63 -36.21 78.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 110.574 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 40' ' ' ALA . 46.3 mm -72.18 -43.99 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.486 HG21 ' HG3' ' A' ' 53' ' ' ARG . 60.5 mt -64.58 -28.99 46.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.727 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -19.85 65.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.306 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -87.95 -11.82 46.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.419 . . . . 0.0 110.098 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.427 HG22 ' CB ' ' B' ' 30' ' ' PRO . 40.8 t -82.05 136.34 47.21 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.965 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -45.64 129.48 11.55 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.727 2.285 . . . . 0.0 111.527 173.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.525 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 26.2 tt0 -60.72 -29.4 69.33 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -169.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -63.38 -30.24 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.651 0.262 . . . . 0.0 111.535 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -112.68 8.81 19.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.146 0.498 . . . . 0.0 110.121 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.525 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 41.6 ttm180 -74.56 -42.25 59.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.994 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.46 -31.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.927 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.86 -52.57 35.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.273 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.4 m -64.27 -37.01 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.101 -175.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 p -72.73 -34.68 47.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.038 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -43.51 73.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.097 0.475 . . . . 0.0 110.232 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -64.88 -38.46 91.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.223 175.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -58.29 -52.3 66.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.438 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 24.8 p -65.33 -37.77 88.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.786 -177.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 62.0 tttm -64.88 -51.51 61.57 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 120.932 0.396 . . . . 0.0 110.615 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.12 83.23 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.934 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -55.23 -58.71 6.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.378 177.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 61' ' ' THR . 46.6 mtpt -58.86 -48.31 81.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.911 -172.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 4.4 pt20 -71.5 -29.38 64.73 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.043 -176.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 m -82.83 -16.55 47.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.136 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.8 t -91.1 -42.53 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.968 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.79 -37.24 85.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.16 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.404 ' HB3' ' HE2' ' A' ' 74' ' ' HIS . 50.4 mt-10 -95.06 16.03 17.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.205 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -85.21 70.98 10.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.224 0.535 . . . . 0.0 111.267 -175.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -128.05 -82.3 0.59 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.105 170.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -149.94 153.23 36.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.495 174.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 70' ' ' GLU . 23.8 m-70 -142.93 89.55 2.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.907 174.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -78.34 101.99 7.48 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 175.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.238 -170.784 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.521 ' HE3' HD12 ' B' ' 3' ' ' ILE . 28.0 ttt . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -56.88 -32.13 91.26 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.004 2.469 . . . . 0.0 113.275 -176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.521 HD12 ' HE3' ' B' ' 1' ' ' MET . 50.0 mt -75.42 85.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.264 0.554 . . . . 0.0 110.317 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.0 p -133.68 2.45 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.405 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -75.74 82.18 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.455 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -94.2 80.5 4.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.925 0.393 . . . . 0.0 110.716 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 64.13 -175.07 0.16 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.047 174.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' HG21 ' B' ' 12' ' ' VAL . 11.7 p -109.76 121.02 44.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.13 177.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -64.46 -24.26 67.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.623 -177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.5 -54.97 37.31 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.155 0.502 . . . . 0.0 109.732 174.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.523 ' O ' HG13 ' B' ' 15' ' ' ILE . 24.7 ttm180 -68.59 -48.42 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.152 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.638 HG22 HD13 ' A' ' 32' ' ' LEU . 87.7 t -53.7 -50.97 47.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 120.72 0.295 . . . . 0.0 111.537 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.81 -34.02 75.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.42 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -63.95 -46.85 82.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.935 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 11' ' ' ARG . 84.0 mt -55.0 -50.73 60.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.44 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.563 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 66.5 mt -58.76 -44.36 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.6 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -64.25 -45.22 89.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.264 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.423 ' O ' HG21 ' B' ' 22' ' ' VAL . 2.6 m-20 -61.86 -42.03 98.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.927 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 96.0 mt -60.74 -45.1 95.61 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.584 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 91.6 mt -60.13 -43.08 95.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.93 -35.03 79.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.842 0.353 . . . . 0.0 110.603 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' B' ' 25' ' ' LYS . 59.1 t -59.15 -40.39 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.471 175.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -71.81 -37.93 70.3 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.404 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.511 HG22 ' O ' ' B' ' 20' ' ' LEU . 98.8 t -67.2 -40.34 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.431 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 21.1 pttp -65.59 -24.45 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.306 . . . . 0.0 111.005 -177.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.617 ' HB2' HG11 ' B' ' 28' ' ' VAL . 74.6 mm-40 -91.36 -12.58 34.5 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.717 0.294 . . . . 0.0 110.569 177.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 56.34 42.23 28.02 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.535 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.617 HG11 ' HB2' ' B' ' 26' ' ' GLU . 32.9 m -67.34 150.09 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.401 -178.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.76 152.43 72.18 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 171.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.502 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 83.8 Cg_exo -48.69 -48.09 18.76 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.594 2.196 . . . . 0.0 112.489 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.94 -42.55 99.24 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.07 -44.32 92.76 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.671 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.85 91.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.994 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 84.8 mt -62.05 -40.54 96.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.456 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 49.5 ttp -62.58 -40.08 95.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.748 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 72.0 m -71.64 -47.34 55.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.009 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.543 ' O ' HG21 ' B' ' 41' ' ' VAL . 89.0 mt -60.8 -52.88 63.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.37 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.64 -34.49 89.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.584 -176.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' B' ' 35' ' ' MET . 10.1 t-20 -67.39 -36.69 81.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.221 0.534 . . . . 0.0 109.846 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.429 ' HB1' HG22 ' A' ' 16' ' ' ILE . . . -71.1 -43.88 66.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.636 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.543 HG21 ' O ' ' B' ' 37' ' ' LEU . 61.0 t -57.49 -38.75 65.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 178.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.8 m -59.31 -34.55 72.45 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.973 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -76.99 -38.95 52.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.354 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 40' ' ' ALA . 50.2 mm -64.25 -45.56 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.198 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.482 HG22 ' HG3' ' B' ' 53' ' ' ARG . 65.4 mt -66.11 -24.87 34.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 121.287 0.565 . . . . 0.0 110.634 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.37 -19.3 61.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -86.39 -4.2 59.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.275 0.56 . . . . 0.0 110.098 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.414 HG11 ' HG3' ' B' ' 52' ' ' LYS . 52.6 t -94.33 133.38 27.26 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.294 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -51.71 138.81 49.71 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.835 2.356 . . . . 0.0 111.947 176.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.542 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 19.8 mt-10 -62.15 -27.23 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -171.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 45.3 t -57.08 -35.49 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.389 . . . . 0.0 110.87 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.457 ' HZ2' ' HB3' ' B' ' 52' ' ' LYS . 0.7 OUTLIER -112.04 -8.69 14.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.104 179.508 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.542 ' HB3' ' HA ' ' B' ' 50' ' ' GLU . 41.9 ttm180 -62.68 -49.56 74.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 111.158 -177.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.09 -34.18 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.936 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.38 -49.72 58.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.062 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.55 -33.65 63.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -72.14 -41.02 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.893 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -38.69 89.61 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.918 0.39 . . . . 0.0 110.485 176.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -68.33 -39.99 81.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.707 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -60.2 -49.98 75.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.425 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 34.4 p -67.49 -34.18 76.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.086 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -68.86 -44.59 73.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.335 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.04 97.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.439 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 47.7 mt -58.11 -58.22 9.4 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 176.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -54.53 -48.61 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.726 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -65.79 -29.11 69.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 111.581 -176.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' B' ' 71' ' ' HIS . 20.2 m -93.08 -19.96 21.0 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 54.3 t -94.01 -39.26 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.14 -25.15 66.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.023 0.44 . . . . 0.0 110.371 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.493 ' HB3' ' H ' ' B' ' 71' ' ' HIS . 0.7 OUTLIER -98.78 -115.66 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.414 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . 0.493 ' H ' ' HB3' ' B' ' 70' ' ' GLU . 0.3 OUTLIER 64.31 168.23 0.17 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.132 0.573 . . . . 0.0 111.843 175.661 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 26.9 p80 54.64 115.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.668 1.187 . . . . 0.0 113.028 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -131.04 141.74 50.24 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.802 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.67 131.69 54.83 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 176.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -62.92 -28.55 70.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.245 0.545 . . . . 0.0 110.06 -174.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 . . . . . 0 C--O 1.247 0.942 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.123 170.567 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtm . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.79 118.54 5.47 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.97 2.447 . . . . 0.0 112.755 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mm -126.6 96.24 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.2 m -129.38 161.88 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.034 -177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m 59.64 78.84 0.25 Allowed 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.968 176.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -82.76 -27.44 31.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.463 0.649 . . . . 0.0 110.317 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -95.22 151.85 18.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.852 -177.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.451 ' O ' HG22 ' A' ' 12' ' ' VAL . 4.6 t -100.8 158.74 15.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.953 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -61.04 -45.02 96.47 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 -176.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -60.93 -33.63 73.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.441 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.476 ' O ' HG13 ' A' ' 15' ' ' ILE . 30.5 ttt85 -67.36 -43.96 80.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.792 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.48 ' O ' HG13 ' A' ' 16' ' ' ILE . 48.5 t -55.84 -50.34 69.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.338 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -57.45 -45.59 84.58 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.165 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.09 -49.03 79.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.177 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.507 HG12 ' HG3' ' B' ' 26' ' ' GLU . 63.6 mt -59.51 -44.33 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.815 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 12' ' ' VAL . 78.0 mt -59.5 -47.24 91.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.545 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -64.31 -39.35 93.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.983 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.7 t70 -68.67 -34.76 76.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.436 -178.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.438 HD13 HD22 ' B' ' 37' ' ' LEU . 99.0 mt -66.52 -47.9 71.46 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.166 0.508 . . . . 0.0 110.163 174.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.89 -28.44 69.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.439 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.49 ' HA ' HG12 ' A' ' 24' ' ' VAL . 13.4 t70 -68.69 -37.83 79.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.375 177.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 18' ' ' ASP . 66.6 t -60.53 -37.85 76.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.44 0.638 . . . . 0.0 109.602 175.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.97 -34.34 73.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.232 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 21' ' ' ASP . 3.6 p -82.53 -21.06 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 110.344 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 55.1 mttp -57.86 -39.96 79.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.203 0.525 . . . . 0.0 109.918 171.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.514 ' HB2' HG13 ' A' ' 28' ' ' VAL . 17.7 mm-40 -96.46 -25.64 15.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.834 -176.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 59.28 59.65 2.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.569 0.699 . . . . 0.0 109.681 -170.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.514 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.0 m -79.1 153.97 4.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.585 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 p -79.09 157.79 75.47 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.706 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.46 -42.19 56.41 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.471 2.114 . . . . 0.0 111.928 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.2 -51.54 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.965 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD11 HG22 ' B' ' 12' ' ' VAL . 52.3 tp -65.98 -41.88 90.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.675 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.04 -54.78 43.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.32 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.66 -35.6 78.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.319 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.1 ttp -66.52 -43.64 84.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.1 m -71.97 -42.55 66.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.883 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 41' ' ' VAL . 93.1 mt -61.08 -44.29 97.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.034 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.01 -43.8 93.07 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.607 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -62.41 -38.92 91.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 111.19 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.3 -38.49 90.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.616 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 37' ' ' LEU . 57.9 t -67.18 -49.5 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.809 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.8 m -61.32 -33.17 73.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.041 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -63.03 -30.02 71.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.04 0.448 . . . . 0.0 110.836 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -82.32 -42.68 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.308 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.519 HD12 ' HB ' ' A' ' 57' ' ' VAL . 68.1 mt -64.52 -32.78 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.302 -178.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.73 -10.85 51.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.842 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -91.19 -5.71 54.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.42 . . . . 0.0 110.7 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.479 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 17.0 t -90.36 139.99 26.94 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.677 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.67 148.18 90.2 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.122 1.881 . . . . 0.0 112.255 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.408 ' CD ' HH21 ' A' ' 53' ' ' ARG . 4.0 tp10 -59.68 -19.13 47.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.856 -170.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -63.34 -32.43 73.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.81 7.84 3.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.441 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 37.4 ttp180 -66.81 -37.95 85.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.998 0.428 . . . . 0.0 110.706 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -73.24 -31.31 33.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.201 0.524 . . . . 0.0 110.024 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.28 -44.3 72.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.553 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.41 -37.96 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.519 ' HB ' HD12 ' A' ' 45' ' ' ILE . 7.4 p -73.92 -29.22 25.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.883 0.373 . . . . 0.0 110.445 177.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.34 -52.08 37.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -60.6 -37.72 82.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.504 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.408 ' HE1' ' O ' ' B' ' 34' ' ' LEU . 64.8 t80 -57.46 -60.1 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.316 176.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.504 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 24.0 p -66.16 -36.79 84.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.39 -176.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.528 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 16.2 tptm -60.45 -56.05 26.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.964 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -30.39 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.573 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.43 -47.23 84.99 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.59 ' HG2' HG23 ' B' ' 57' ' ' VAL . 53.5 mtmt -66.9 -33.89 76.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.043 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 62' ' ' LYS . 78.2 mt-30 -62.9 -29.16 70.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 110.447 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -87.69 -20.7 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.248 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.7 t -93.69 -41.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.745 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.94 -35.73 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -94.26 -94.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 60.38 -74.74 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.854 0.862 . . . . 0.0 112.657 175.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -58.69 116.37 3.67 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 123.379 0.672 . . . . 0.0 110.459 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -91.88 -70.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -158.88 148.22 18.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.458 0.647 . . . . 0.0 112.619 -175.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.462 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 12.5 p80 -92.5 161.45 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 164.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.462 ' HB3' ' O ' ' A' ' 75' ' ' HIS . 58.4 t60 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.981 -0.533 . . . . 0.0 110.329 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.13 124.93 12.79 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.315 2.01 . . . . 0.0 111.78 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.41 HG13 HG21 ' B' ' 4' ' ' VAL . 36.1 pt -67.3 168.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.829 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.421 ' O ' HG12 ' B' ' 4' ' ' VAL . 22.0 t 69.06 4.18 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.7 0.762 . . . . 0.0 110.598 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -110.82 116.76 31.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.817 175.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -79.48 81.71 5.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.0 0.428 . . . . 0.0 110.784 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 61.44 -168.01 0.19 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.459 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 5.4 p -110.88 124.71 52.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.446 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -57.88 -38.43 75.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.753 0.311 . . . . 0.0 110.815 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' B' ' 10' ' ' GLU . 2.5 mp0 -57.87 -41.15 81.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.91 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.545 ' O ' HG13 ' B' ' 15' ' ' ILE . 51.2 ttt180 -74.35 -45.17 48.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.691 -176.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.43 HG22 HD11 ' A' ' 32' ' ' LEU . 59.0 t -57.95 -42.84 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.164 177.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.81 -51.09 70.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.866 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -59.25 -44.4 92.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.287 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 11' ' ' ARG . 71.7 mt -59.43 -46.85 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.694 0.283 . . . . 0.0 110.789 -177.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.3 -44.55 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.571 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.85 -47.85 81.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.766 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -43.04 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.316 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 96.0 mt -60.71 -43.36 97.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.562 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.4 -35.82 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.671 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -63.9 -45.27 90.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.662 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.86 -39.53 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.32 . . . . 0.0 110.81 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 19' ' ' LEU . 94.5 mt -59.49 -50.18 74.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.274 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -75.65 -24.99 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 110.46 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -66.87 -36.73 82.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.619 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.507 ' HG3' HG12 ' A' ' 15' ' ' ILE . 80.7 mm-40 -86.49 -6.06 59.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.557 174.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 59.88 41.31 18.06 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.449 HG12 HD13 ' A' ' 15' ' ' ILE . 30.5 m -64.76 147.93 12.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.495 ' OG1' ' HD2' ' B' ' 30' ' ' PRO . 12.7 t -99.03 152.96 37.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 172.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.495 ' HD2' ' OG1' ' B' ' 29' ' ' THR . 53.5 Cg_exo -34.07 -51.96 0.58 Allowed 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.795 2.997 . . . . 0.0 114.404 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.13 -56.86 15.98 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.128 0.489 . . . . 0.0 110.423 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -57.93 -40.61 80.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.159 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.21 -54.17 49.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.77 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.408 ' O ' ' HE1' ' A' ' 60' ' ' PHE . 90.6 mt -62.61 -41.66 99.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.861 -178.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.508 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 36.8 ttp -60.29 -46.65 89.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.982 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 90.4 m -69.93 -45.25 67.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.224 -0.191 . . . . 0.0 111.443 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.545 ' O ' HG21 ' B' ' 41' ' ' VAL . 80.5 mt -60.48 -52.88 63.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.591 0.234 . . . . 0.0 111.192 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.57 -33.01 86.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.374 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.508 ' HB2' ' O ' ' B' ' 35' ' ' MET . 14.6 t-20 -67.54 -39.25 85.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.013 0.435 . . . . 0.0 109.941 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.49 -43.02 86.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.328 176.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.545 HG21 ' O ' ' B' ' 37' ' ' LEU . 90.2 t -57.15 -47.37 84.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.325 176.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 60.5 m -57.3 -39.73 76.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.05 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.444 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 0.2 OUTLIER -67.21 -39.39 86.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.067 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -65.84 -48.79 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.876 0.369 . . . . 0.0 110.734 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.498 HG23 ' HG3' ' B' ' 53' ' ' ARG . 59.5 mt -65.34 -26.32 39.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.038 0.447 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.61 -11.34 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.341 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.3 mt-30 -93.21 -10.63 35.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.233 0.54 . . . . 0.0 110.067 177.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.2 t -86.73 136.65 34.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.726 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -47.38 133.71 20.19 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.914 2.409 . . . . 0.0 112.303 176.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -53.63 -32.72 52.49 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.6 t -49.58 -53.15 25.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 111.207 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -102.14 2.39 37.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.293 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.498 ' HG3' HG23 ' B' ' 45' ' ' ILE . 42.4 ttm180 -64.05 -43.07 96.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.957 0.408 . . . . 0.0 110.512 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.8 t -70.31 -29.75 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.36 0.6 . . . . 0.0 110.272 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.3 -49.26 44.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.094 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.8 m -66.78 -34.81 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.643 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.59 HG23 ' HG2' ' A' ' 65' ' ' LYS . 13.5 p -72.55 -31.86 39.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.696 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.27 -44.01 69.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -62.76 -41.63 99.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.86 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.447 ' CE2' HG12 ' B' ' 41' ' ' VAL . 78.2 t80 -57.81 -52.93 63.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.489 0.662 . . . . 0.0 110.638 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.504 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 17.9 p -68.17 -35.14 77.56 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.337 -176.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.02 -45.38 81.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.189 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.03 98.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.445 ' O ' HG23 ' B' ' 68' ' ' VAL . 21.8 mt -54.21 -58.9 5.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.561 ' HZ1' ' HB2' ' B' ' 65' ' ' LYS . 10.1 mtmp? -62.53 -29.51 70.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.758 -178.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -67.02 -48.46 68.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.745 175.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 69.3 p -66.38 -32.3 73.6 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 111.267 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 64' ' ' LEU . 96.2 t -63.87 -44.03 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.401 . . . . 0.0 110.105 175.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.0 -45.18 61.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.037 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -113.26 90.69 3.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.309 0.576 . . . . 0.0 112.153 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 54.8 p-80 -145.46 -34.82 0.32 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.533 169.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 52.29 -154.88 0.18 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.858 0.723 . . . . 0.0 110.387 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -122.96 95.65 4.7 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 168.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.528 ' O ' ' HB2' ' B' ' 75' ' ' HIS . 7.8 p80 -80.05 56.33 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.111 -171.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.528 ' HB2' ' O ' ' B' ' 74' ' ' HIS . 20.1 t-80 169.12 97.05 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.842 171.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.932 -0.556 . . . . 0.0 110.527 -178.267 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.6 mpt? . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 6.4 Cg_exo -74.4 58.2 4.39 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.317 2.678 . . . . 0.0 112.134 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.4 mt -126.53 139.91 50.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.699 HG12 ' HD2' ' A' ' 7' ' ' TYR . 6.3 t -85.53 61.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.014 0.435 . . . . 0.0 110.49 -176.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 m 50.65 -92.21 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.243 -0.89 . . . . 0.0 113.015 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -129.22 7.63 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.613 0.244 . . . . 0.0 111.183 -173.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.699 ' HD2' HG12 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -122.61 142.33 50.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.825 0.345 . . . . 0.0 110.702 -173.324 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.6 p -83.99 150.71 25.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.217 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -59.87 -38.92 83.57 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -48.64 -49.0 39.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.871 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.566 ' O ' HG13 ' A' ' 15' ' ' ILE . 63.9 ttt180 -73.99 -41.3 62.13 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.789 -176.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 8' ' ' SER . 97.3 t -57.01 -50.34 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.905 0.383 . . . . 0.0 110.538 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.41 -38.94 93.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.926 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -63.94 -41.38 97.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 11' ' ' ARG . 88.0 mt -60.58 -42.04 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.25 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.524 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 70.9 mt -61.67 -41.67 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.04 176.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -62.52 -46.84 86.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.464 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.422 ' HB3' HG13 ' B' ' 22' ' ' VAL . 0.9 OUTLIER -53.17 -44.75 68.1 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.747 176.231 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 83.6 mt -64.27 -43.77 93.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.81 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 91.4 mt -60.23 -42.73 95.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.928 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -61.29 -38.85 88.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.224 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.8 t -60.99 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.199 0.523 . . . . 0.0 110.655 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 HD11 ' B' ' 44' ' ' ILE . 85.4 mt -67.8 -46.44 71.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.371 -176.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.36 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.556 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 33.3 ttpt -53.44 -41.19 65.84 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.405 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' HB2' HG12 ' A' ' 28' ' ' VAL . 9.6 mm-40 -91.7 -0.14 57.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.426 -176.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 52.31 44.78 29.47 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.613 -175.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 26' ' ' GLU . 33.5 m -65.93 136.9 25.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.37 0.605 . . . . 0.0 111.904 -175.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.13 154.87 63.88 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.362 173.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.438 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 96.3 Cg_exo -45.67 -48.19 12.5 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.061 2.507 . . . . 0.0 113.375 -177.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.2 -49.33 78.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.036 0.446 . . . . 0.0 110.66 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -65.18 -42.35 93.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.801 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.45 73.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.286 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.3 mt -62.79 -42.26 99.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -178.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 53.5 ttp -60.28 -41.74 93.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.862 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.9 m -72.99 -49.13 30.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.567 ' O ' HG22 ' A' ' 41' ' ' VAL . 94.5 mt -59.56 -52.25 66.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.69 -34.69 90.38 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.659 -177.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 35' ' ' MET . 5.5 t-20 -65.59 -43.83 88.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 109.87 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.91 96.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.795 178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 37' ' ' LEU . 83.9 t -58.61 -42.03 83.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 177.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.9 m -60.53 -36.3 78.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.195 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -72.91 -30.12 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.064 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.3 mm -69.73 -47.42 70.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.836 0.35 . . . . 0.0 110.076 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -70.39 -15.91 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.309 0.576 . . . . 0.0 110.543 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.604 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -71.82 -14.32 61.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.928 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -93.22 6.28 48.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.341 0.591 . . . . 0.0 110.276 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.568 HG11 ' HG3' ' A' ' 52' ' ' LYS . 45.3 t -111.19 118.21 48.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.81 -179.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.99 135.8 44.07 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.907 2.405 . . . . 0.0 112.475 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 2.2 mp0 -41.45 -39.55 1.53 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.7 t -46.4 -43.45 16.31 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.5 0.5 . . . . 0.0 111.466 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HG3' HG11 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -112.74 -5.4 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.941 179.313 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.604 ' NH1' ' HA ' ' A' ' 46' ' ' ALA . 18.8 ttm-85 -63.93 -48.63 75.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.558 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.56 -32.52 58.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.229 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -45.65 69.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.088 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.93 -37.49 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -177.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.57 HG22 ' HG2' ' B' ' 65' ' ' LYS . 12.5 p -70.88 -35.15 58.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.238 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 36.4 t70 -67.71 -48.69 65.82 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -59.89 -35.07 74.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.644 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -59.08 -54.79 43.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.2 0.524 . . . . 0.0 110.196 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.586 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 36.4 p -68.48 -36.5 79.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.629 -176.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -66.11 -39.51 90.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.971 0.415 . . . . 0.0 110.299 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.06 94.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.353 175.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.73 -47.28 82.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.292 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -57.91 -48.2 80.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.529 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -72.41 -17.92 61.76 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.064 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.521 ' HB3' HG21 ' B' ' 42' ' ' THR . 57.7 m -82.11 -42.31 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.677 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.5 t -73.42 -31.27 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.169 0.509 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -77.0 8.72 3.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.237 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -133.05 156.92 46.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.279 178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -151.54 113.42 4.46 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.111 0.481 . . . . 0.0 109.862 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -160.68 139.12 10.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.006 -173.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -122.98 -84.87 0.66 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 171.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -152.61 11.37 0.51 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 174.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 57.64 83.48 0.11 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.526 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.682 -0.675 . . . . 0.0 109.545 175.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.76 ' H2 ' ' HD2' ' B' ' 2' ' ' PRO . 1.5 mpt? . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.76 ' HD2' ' H2 ' ' B' ' 1' ' ' MET . 18.2 Cg_endo -60.22 -39.5 67.88 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.125 1.883 . . . . 0.0 112.703 -176.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.6 mm -102.31 104.07 15.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.391 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 48.2 t -99.55 130.4 48.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 36.2 t -104.28 134.1 48.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.891 0.377 . . . . 0.0 111.142 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.42 -11.86 36.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.371 175.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -113.47 156.23 23.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 13.6 m -91.25 131.38 36.81 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -54.7 -41.06 69.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.037 0.446 . . . . 0.0 110.379 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' B' ' 14' ' ' LYS . 23.8 tt0 -50.56 -56.37 12.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.876 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.474 ' O ' HG13 ' B' ' 15' ' ' ILE . 15.7 ttt180 -66.34 -35.81 81.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.298 -173.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.416 ' O ' HG13 ' B' ' 16' ' ' ILE . 87.3 t -60.55 -53.48 48.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -67.11 -30.54 70.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.16 0.505 . . . . 0.0 110.34 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' B' ' 10' ' ' GLU . 28.2 tttt -60.99 -52.41 65.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.526 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.474 HG13 ' O ' ' B' ' 11' ' ' ARG . 79.5 mt -61.21 -43.4 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.649 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.416 HG13 ' O ' ' B' ' 12' ' ' VAL . 81.1 mt -58.15 -47.87 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.682 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -67.21 -38.76 85.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.342 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.82 -44.86 91.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.935 0.398 . . . . 0.0 109.931 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.2 -47.51 85.66 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.726 175.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.47 ' O ' HG23 ' B' ' 24' ' ' VAL . 81.0 mt -60.32 -38.35 83.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.278 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -63.09 -42.55 99.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.622 0.249 . . . . 0.0 110.739 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 18' ' ' ASP . 63.5 t -59.78 -43.02 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.081 0.467 . . . . 0.0 110.179 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.03 -43.06 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.111 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 20' ' ' LEU . 91.7 t -68.3 -37.2 77.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.772 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -58.13 -39.49 78.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.839 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.413 ' HB2' HG13 ' B' ' 28' ' ' VAL . 35.5 mm-40 -86.14 -11.14 53.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.056 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 54.33 49.88 17.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.542 -175.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.413 HG13 ' HB2' ' B' ' 26' ' ' GLU . 33.5 m -68.31 142.11 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.308 -178.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 45.9 p -77.01 160.11 77.0 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.273 175.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.439 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 68.6 Cg_exo -52.52 -40.58 71.78 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 121.941 1.76 . . . . 0.0 111.282 174.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.46 -52.55 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.147 176.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.39 -42.05 93.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.044 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.22 -52.33 65.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 80.8 mt -59.73 -38.17 80.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.149 -178.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttp -66.36 -44.62 82.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.898 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 61.3 m -71.14 -48.9 49.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.482 ' O ' HG21 ' B' ' 41' ' ' VAL . 88.8 mt -64.1 -40.13 95.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -178.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.61 -39.5 93.43 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.532 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -70.68 -37.59 73.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.624 0.25 . . . . 0.0 110.815 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.31 86.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.445 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.482 HG21 ' O ' ' B' ' 37' ' ' LEU . 73.7 t -61.52 -49.18 85.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.551 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.521 HG21 ' HB3' ' A' ' 67' ' ' SER . 89.6 m -56.28 -43.92 79.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 178.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 51.0 t30 -56.16 -38.48 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.12 -178.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.451 HD11 HD11 ' A' ' 23' ' ' LEU . 63.7 mt -83.11 -41.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.631 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.455 HG21 ' HB ' ' B' ' 57' ' ' VAL . 62.9 mt -64.43 -33.14 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.063 0.459 . . . . 0.0 110.782 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.25 -9.25 57.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.355 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.1 mt-30 -93.62 -6.48 46.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.434 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -88.13 144.83 34.99 Favored Pre-proline 0 N--CA 1.449 -0.476 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -174.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -40.54 119.69 0.8 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.613 2.209 . . . . 0.0 111.414 172.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.538 ' HA ' ' HG2' ' B' ' 53' ' ' ARG . 25.1 tt0 -49.07 -37.66 21.86 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.631 0.582 . . . . 0.0 112.045 -172.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.8 t -57.32 -29.41 63.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.017 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -118.49 -12.26 9.84 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.326 -0.55 . . . . 0.0 112.255 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.538 ' HG2' ' HA ' ' B' ' 50' ' ' GLU . 3.7 ptp180 -65.9 -30.76 71.41 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.364 -0.535 . . . . 0.0 110.1 -178.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 44.3 t -73.26 -32.53 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.272 0.558 . . . . 0.0 110.049 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.89 -45.3 58.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.775 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.486 HG21 ' HA ' ' B' ' 53' ' ' ARG . 34.6 m -67.49 -31.22 51.74 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.63 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.455 ' HB ' HG21 ' B' ' 45' ' ' ILE . 11.0 p -76.1 -34.73 27.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.917 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.18 -45.72 69.28 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -59.57 -42.46 92.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.174 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -56.81 -59.55 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.419 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.586 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 21.4 p -64.03 -36.62 84.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.654 -176.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 85.0 tttt -63.22 -56.26 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.402 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.36 80.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.624 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.74 -46.66 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.57 ' HG2' HG22 ' A' ' 57' ' ' VAL . 51.8 mtmt -69.14 -25.78 64.55 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.23 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 29.2 mt-30 -69.05 -43.06 75.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.069 0.461 . . . . 0.0 110.345 173.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 m -66.83 -32.78 74.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.668 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 77.0 t -80.64 -37.91 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.847 177.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' B' ' 65' ' ' LYS . 15.3 tp -54.25 -52.49 61.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.376 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -121.45 77.38 1.33 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.27 175.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -100.76 -22.52 14.85 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.13 176.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -82.1 80.51 8.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.714 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -164.51 45.32 0.1 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.113 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 65.6 -84.01 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.054 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 168.64 -24.78 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -169.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 46.1 t60 . . . . . 0 C--O 1.25 1.126 0 CA-C-N 114.113 -1.403 . . . . 0.0 107.769 175.607 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.3 -61.46 0.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.301 2.001 . . . . 0.0 111.587 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.6 mm 67.77 -64.78 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.294 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -99.09 120.09 47.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.448 0.642 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 p -73.67 125.48 28.14 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.498 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' HB3' ' HE2' ' A' ' 6' ' ' LYS . 35.4 ttpt -70.2 -30.45 67.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 -177.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.403 ' OH ' ' HB2' ' B' ' 32' ' ' LEU . 50.5 m-85 60.86 -161.58 0.28 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.275 -175.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.5 p -150.24 155.98 40.72 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -57.5 -35.24 69.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 123.166 0.291 . . . . 0.0 110.742 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.15 -52.97 63.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.877 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' O ' HG13 ' A' ' 15' ' ' ILE . 28.4 tpt180 -54.38 -45.18 72.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.928 -177.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 16' ' ' ILE . 51.8 t -62.45 -57.59 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.168 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.94 -32.6 74.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.482 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 13.2 tmtt? -62.94 -49.49 74.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.26 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 11' ' ' ARG . 78.9 mt -61.68 -42.66 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.325 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 72.7 mt -60.41 -48.39 88.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.58 176.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -60.47 -40.34 90.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.367 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.2 -42.91 96.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.157 0.504 . . . . 0.0 109.795 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.69 -44.87 95.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.402 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.9 mt -60.22 -38.85 84.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.597 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -57.01 -46.32 82.42 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.544 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 80.7 t -57.55 -44.53 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.625 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.37 -49.45 69.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.219 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 20' ' ' LEU . 57.4 t -65.36 -37.28 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.863 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -67.75 -11.13 57.76 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 111.681 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.615 ' HB2' HG11 ' A' ' 28' ' ' VAL . 79.4 mm-40 -101.34 -7.19 23.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.557 0.217 . . . . 0.0 110.701 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 55.78 40.32 30.74 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.564 -173.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.615 HG11 ' HB2' ' A' ' 26' ' ' GLU . 33.9 m -64.61 145.61 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.152 0.501 . . . . 0.0 111.575 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 p -83.11 159.52 62.3 Favored Pre-proline 0 N--CA 1.445 -0.678 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 172.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.468 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 9.2 Cg_endo -53.5 -44.81 45.84 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.481 2.121 . . . . 0.0 112.177 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.76 -43.02 90.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.436 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.432 HD11 HG21 ' B' ' 12' ' ' VAL . 61.1 tp -62.49 -45.09 94.61 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.763 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' CB ' HD11 ' B' ' 44' ' ' ILE . . . -58.69 -42.81 89.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -178.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 86.0 mt -60.96 -40.74 94.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.2 ttp -64.3 -41.3 96.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.652 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.1 m -70.0 -49.96 46.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.001 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.512 ' O ' HG21 ' A' ' 41' ' ' VAL . 96.1 mt -61.09 -41.25 96.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.22 -41.03 92.62 Favored Glycine 0 C--N 1.329 0.159 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.599 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -76.02 -35.21 59.6 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.444 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.03 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.512 HG21 ' O ' ' A' ' 37' ' ' LEU . 58.9 t -60.47 -52.63 59.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.168 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.4 m -59.78 -35.44 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.306 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -60.34 -38.09 82.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.532 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 48' ' ' VAL . 16.0 tt -88.72 -25.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.899 -179.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 41' ' ' VAL . 55.9 mt -65.09 -32.61 59.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 121.271 0.558 . . . . 0.0 110.223 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.39 -16.53 62.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.984 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -86.34 -16.73 36.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.495 0.664 . . . . 0.0 109.842 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 44' ' ' ILE . 24.7 t -86.49 137.6 34.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.977 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.8 146.9 96.7 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.592 2.195 . . . . 0.0 112.523 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.533 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 3.0 mm-40 -54.23 -32.03 54.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.296 -175.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t -50.11 -33.63 19.36 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.578 0.549 . . . . 0.0 112.021 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -127.01 1.0 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.322 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.533 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 42.8 ttm180 -61.64 -45.96 91.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.917 0.389 . . . . 0.0 111.178 -178.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.89 -30.33 32.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.231 0.538 . . . . 0.0 110.304 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.2 -46.01 65.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.173 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' B' ' 34' ' ' LEU . 26.9 m -65.03 -37.48 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.683 -176.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.8 -33.93 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.772 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -69.37 -43.65 73.14 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.876 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -68.49 -35.66 77.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -61.95 -51.08 69.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.115 0.483 . . . . 0.0 110.283 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.8 p -65.27 -37.55 87.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.198 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -62.33 -49.45 75.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.121 0.486 . . . . 0.0 110.386 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.88 -39.31 84.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.502 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.7 mt -58.44 -55.15 38.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.181 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -55.62 -40.62 72.38 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.005 0.431 . . . . 0.0 111.151 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -68.54 -50.87 48.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.957 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.594 ' O ' ' HB2' ' A' ' 71' ' ' HIS . 34.0 p -72.54 -28.87 63.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.821 -173.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.6 t -74.31 -49.27 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.599 0.238 . . . . 0.0 111.464 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.91 -37.76 82.09 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -93.17 8.88 38.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.794 0.33 . . . . 0.0 111.402 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.594 ' HB2' ' O ' ' A' ' 67' ' ' SER . 27.1 t-80 -70.85 -17.46 62.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.68 0.276 . . . . 0.0 111.192 -177.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -104.38 1.32 30.04 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.931 -175.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -147.1 99.74 3.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.626 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -106.77 -34.41 7.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.373 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -115.91 99.56 7.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.902 0.382 . . . . 0.0 110.268 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.563 178.283 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.475 ' HB3' HG21 ' B' ' 3' ' ' ILE . 65.0 mtt . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.56 0.219 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.474 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 53.8 Cg_endo -88.94 12.86 2.62 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.073 2.515 . . . . 0.0 112.691 -176.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.475 HG21 ' HB3' ' B' ' 1' ' ' MET . 9.7 tt -81.39 96.77 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.7 0.762 . . . . 0.0 111.071 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 30.7 m -136.1 170.57 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.901 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.4 p -65.96 -18.83 65.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.912 0.387 . . . . 0.0 111.633 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -96.83 11.21 36.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 71.71 173.74 0.3 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.391 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.474 ' HB3' ' HB2' ' B' ' 2' ' ' PRO . 11.8 m -92.12 128.83 38.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.765 -176.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -58.31 -44.76 88.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.36 -43.23 95.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.721 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.522 ' O ' HG13 ' B' ' 15' ' ' ILE . 76.2 ttt180 -71.51 -40.04 70.41 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.067 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.458 ' O ' HG13 ' B' ' 16' ' ' ILE . 69.5 t -61.85 -43.79 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.66 -40.15 96.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.406 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' B' ' 11' ' ' ARG . 47.1 tttm -52.65 -55.48 22.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.318 175.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 11' ' ' ARG . 59.0 mt -55.6 -47.63 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.93 -178.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 12' ' ' VAL . 75.9 mt -58.06 -48.73 83.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -68.23 -34.65 76.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.025 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.522 ' O ' HG23 ' B' ' 22' ' ' VAL . 80.1 m-20 -64.94 -41.5 95.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.8 mt -61.34 -46.92 88.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.402 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.412 ' O ' HG23 ' B' ' 24' ' ' VAL . 91.1 mt -61.18 -38.37 86.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.32 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.04 -38.07 87.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.755 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.579 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 98.7 t -65.94 -38.06 81.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.272 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.586 ' HB2' ' CG2' ' B' ' 28' ' ' VAL . 4.0 pp -78.86 -22.11 46.55 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.139 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 20' ' ' LEU . 83.9 t -78.46 -36.01 19.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 171.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.579 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 79.0 tttt -50.73 -46.95 59.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.818 173.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -92.43 -11.2 35.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.602 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.25 66.35 1.25 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.05 -174.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.642 ' HA ' HD22 ' B' ' 32' ' ' LEU . 21.2 m -73.81 142.91 14.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.116 0.484 . . . . 0.0 110.969 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.52 HG21 ' HD2' ' B' ' 30' ' ' PRO . 0.0 OUTLIER -80.06 159.24 71.16 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 173.037 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.52 ' HD2' HG21 ' B' ' 29' ' ' THR . 94.8 Cg_exo -45.95 -52.22 7.32 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.854 2.369 . . . . 0.0 113.276 -178.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.03 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.642 HD22 ' HA ' ' B' ' 28' ' ' VAL . 60.5 tp -62.44 -41.07 98.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.34 -53.63 56.08 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.472 ' CD1' ' HB ' ' A' ' 56' ' ' VAL . 88.7 mt -61.54 -42.15 98.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.254 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.8 ttp -61.66 -43.86 98.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.31 . . . . 0.0 110.954 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 63.7 m -70.27 -46.69 63.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 0.0 110.706 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.58 ' O ' HG22 ' B' ' 41' ' ' VAL . 95.9 mt -60.87 -42.34 97.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.017 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.76 -43.8 86.8 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -70.16 -37.83 75.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.663 0.268 . . . . 0.0 110.608 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.06 92.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.858 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.58 HG22 ' O ' ' B' ' 37' ' ' LEU . 59.2 t -61.13 -52.48 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.064 177.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 30.7 m -61.12 -33.48 73.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.7 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -65.15 -37.27 86.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.149 -178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.459 HD11 ' CB ' ' A' ' 33' ' ' ALA . 19.8 tt -90.7 -22.1 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.931 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.44 HG13 ' O ' ' B' ' 41' ' ' VAL . 52.5 mt -67.57 -26.47 35.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.413 0.625 . . . . 0.0 109.518 171.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.74 -19.06 65.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.451 175.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -88.35 -1.54 58.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.219 0.533 . . . . 0.0 109.928 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 42.6 t -97.63 127.11 38.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.561 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -51.53 132.79 41.8 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.643 2.229 . . . . 0.0 111.715 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.528 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 3.0 mp0 -51.34 -31.36 21.63 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -174.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -52.66 -39.02 61.44 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.342 0.401 . . . . 0.0 111.513 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -114.52 -1.33 13.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.743 0.306 . . . . 0.0 110.745 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.528 ' HB3' ' HA ' ' B' ' 50' ' ' GLU . 40.4 ttm180 -62.71 -44.06 97.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.643 -178.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.15 -36.72 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.175 0.512 . . . . 0.0 110.182 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.27 -46.12 65.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.575 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.419 ' HB ' ' CD1' ' A' ' 34' ' ' LEU . 27.2 m -67.72 -39.14 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -175.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 p -70.91 -32.84 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.708 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -70.38 -48.3 56.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.624 0.249 . . . . 0.0 110.565 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -65.28 -29.75 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.237 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -61.69 -53.19 59.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 45.3 p -64.46 -33.83 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.818 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -62.49 -47.87 82.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 174.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.93 77.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.501 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.451 ' O ' HG21 ' B' ' 68' ' ' VAL . 73.9 mt -60.97 -58.6 7.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.948 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -59.12 -38.48 79.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.68 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.558 ' O ' ' HG2' ' B' ' 70' ' ' GLU . 4.8 tp-100 -56.4 -60.13 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.266 175.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.3 m -63.16 -38.32 90.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.875 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.451 HG21 ' O ' ' B' ' 64' ' ' LEU . 71.3 t -61.12 -38.06 78.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.898 0.38 . . . . 0.0 110.845 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.475 ' HA ' ' CE1' ' B' ' 72' ' ' HIS . 88.5 mt -75.32 -36.92 60.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.281 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' B' ' 66' ' ' GLN . 6.3 mm-40 -79.95 -31.57 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -174.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -80.84 -22.09 40.22 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -173.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.475 ' CE1' ' HA ' ' B' ' 69' ' ' LEU . 19.9 p-80 -84.13 134.06 34.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.647 177.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -91.69 174.1 7.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.838 -170.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -150.19 164.89 34.5 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -82.4 65.78 7.69 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.298 0.57 . . . . 0.0 112.522 -173.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 60.1 t60 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.461 -0.781 . . . . 0.0 109.924 175.349 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 mmt . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.559 0.218 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -84.84 -168.65 0.54 Allowed 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.65 2.234 . . . . 0.0 111.33 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.57 102.04 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.095 0.474 . . . . 0.0 109.974 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.35 101.47 2.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.778 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -131.01 32.67 4.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.479 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 31.3 tttp -90.14 71.33 7.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.279 -173.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.416 ' CD2' ' HG2' ' A' ' 6' ' ' LYS . 4.3 m-85 61.16 -172.67 0.14 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.409 171.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.3 t -102.15 131.19 48.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.665 176.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 55.2 m-80 -58.09 -40.47 81.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.981 -177.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -56.46 -42.3 77.95 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.967 0.413 . . . . 0.0 110.877 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' O ' HG13 ' A' ' 15' ' ' ILE . 45.6 ttt180 -73.35 -36.97 66.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.502 -177.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 8' ' ' SER . 96.5 t -60.0 -46.09 94.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.362 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 9' ' ' ASN . 65.2 mt-10 -60.66 -37.29 81.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.441 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -66.25 -45.2 81.43 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.846 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 11' ' ' ARG . 71.6 mt -61.2 -45.74 98.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.916 0.389 . . . . 0.0 110.223 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.87 -46.64 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.647 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -62.67 -48.43 79.32 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.28 -44.42 79.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.282 0.364 . . . . 0.0 111.073 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.46 HD12 HD21 ' B' ' 37' ' ' LEU . 97.3 mt -62.82 -46.36 88.32 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 24' ' ' VAL . 86.9 mt -63.88 -37.04 85.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.66 -44.83 73.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.2 t -62.07 -46.47 96.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.758 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.442 HD12 HD21 ' A' ' 37' ' ' LEU . 91.5 mt -62.3 -44.84 95.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.045 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 20' ' ' LEU . 92.1 t -69.03 -37.25 76.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.385 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -56.8 -42.88 80.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.746 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -82.65 -12.26 57.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.76 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 56.55 47.6 18.28 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.204 0.526 . . . . 0.0 110.151 -174.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.12 137.05 25.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.624 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.5 155.21 81.52 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.73 173.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.442 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 84.0 Cg_exo -45.5 -51.18 8.34 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.983 2.455 . . . . 0.0 112.931 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.4 -47.3 85.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.285 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.56 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.802 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.79 -51.05 70.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.357 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.2 mt -59.28 -43.83 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.894 -178.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.0 ttp -61.99 -37.74 85.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.457 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.48 ' HA ' HG12 ' B' ' 16' ' ' ILE . 64.6 m -77.14 -46.94 21.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.509 ' O ' HG21 ' A' ' 41' ' ' VAL . 96.9 mt -60.67 -52.82 63.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.192 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.64 -35.43 89.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.733 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -66.99 -44.3 80.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.109 0.481 . . . . 0.0 110.21 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -64.88 -43.66 92.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.574 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 37' ' ' LEU . 84.9 t -62.1 -46.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.411 ' HG1' HG21 ' B' ' 68' ' ' VAL . 6.0 t -69.52 -20.76 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.136 0.493 . . . . 0.0 110.954 -173.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -82.98 -31.04 27.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.187 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 40' ' ' ALA . 45.4 mm -72.49 -38.59 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.039 0.447 . . . . 0.0 110.372 178.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.76 -16.88 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.378 0.608 . . . . 0.0 110.727 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.576 ' HA ' HH11 ' A' ' 53' ' ' ARG . . . -74.13 -9.8 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.025 178.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -100.1 6.87 44.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.304 0.573 . . . . 0.0 110.009 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.0 t -102.93 124.36 38.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.802 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -52.23 133.7 48.36 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.787 2.324 . . . . 0.0 112.813 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' HG2' HH21 ' A' ' 53' ' ' ARG . 5.4 mm-40 -44.34 -34.27 1.91 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.6 t -55.68 -26.36 44.47 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.773 0.32 . . . . 0.0 111.244 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -130.8 1.07 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.389 176.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.576 HH11 ' HA ' ' A' ' 46' ' ' ALA . 12.8 ttm-85 -63.13 -47.51 82.46 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.963 0.411 . . . . 0.0 110.21 -178.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.9 -29.9 47.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.292 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.0 41.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.85 -35.98 72.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.89 -36.19 72.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.658 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -72.11 -44.21 63.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.09 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.07 -38.74 80.15 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.545 176.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.49 -53.31 59.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.302 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.456 HG22 HG23 ' B' ' 61' ' ' THR . 30.8 p -67.76 -34.51 76.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.476 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -66.37 -43.88 84.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.513 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.68 95.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.867 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.528 ' O ' HG22 ' A' ' 68' ' ' VAL . 43.6 mt -57.06 -49.53 75.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.546 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -60.57 -35.17 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.035 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 51.5 tt0 -66.84 -51.74 51.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.362 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.448 ' HB2' HG22 ' B' ' 42' ' ' THR . 26.1 p -69.98 -8.58 50.21 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 64' ' ' LEU . 69.9 t -88.91 -40.81 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.837 0.351 . . . . 0.0 110.264 172.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.5 -47.09 10.96 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -87.77 -14.79 38.75 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -171.705 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -70.74 99.17 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.248 0.547 . . . . 0.0 110.945 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -154.02 141.31 19.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.654 178.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -83.12 115.29 21.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.874 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -138.79 -84.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 174.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.2 m170 52.81 -161.65 0.1 Allowed 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.662 0.601 . . . . 0.0 111.211 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.06 178.768 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.82 ' HB3' ' HD3' ' B' ' 2' ' ' PRO . 15.4 tpt . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.781 -0.081 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.82 ' HD3' ' HB3' ' B' ' 1' ' ' MET . 1.7 Cg_endo -86.68 148.4 8.51 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 122.393 2.062 . . . . 0.0 111.269 173.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.3 pt -90.51 123.2 42.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.178 0.513 . . . . 0.0 111.077 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -81.82 -25.03 9.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.46 0.648 . . . . 0.0 109.999 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -111.23 174.37 5.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.028 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.409 ' HZ1' ' HB3' ' B' ' 6' ' ' LYS . 7.8 mtpm? -97.45 -1.43 44.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.282 0.563 . . . . 0.0 109.827 178.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -134.86 -179.85 5.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.492 -177.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.0 m -82.69 118.55 23.42 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 173.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -53.45 -44.07 68.59 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.33 0.394 . . . . 0.0 111.527 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.36 -35.12 71.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.411 ' O ' HG13 ' B' ' 15' ' ' ILE . 78.1 ttt180 -74.59 -39.93 61.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.482 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.4 t -55.89 -51.46 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.52 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.5 -29.86 70.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.837 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -63.31 -41.76 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.052 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.425 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 72.6 mt -64.75 -45.02 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.061 178.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.48 HG12 ' HA ' ' A' ' 36' ' ' CYS . 71.5 mt -58.33 -45.29 89.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.342 176.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -65.51 -37.49 86.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.336 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.76 -40.96 97.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.855 0.359 . . . . 0.0 110.18 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 86.8 mt -60.42 -41.62 94.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.214 0.53 . . . . 0.0 109.88 175.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.03 -41.97 99.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.795 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.76 -41.72 96.04 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 93.9 t -59.77 -41.04 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.034 0.445 . . . . 0.0 110.334 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.489 HD21 HG21 ' B' ' 28' ' ' VAL . 85.7 mt -68.28 -42.34 79.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.086 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 86.8 t -69.6 -34.81 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.713 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -55.61 -43.33 75.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.787 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.512 ' HB2' HG13 ' B' ' 28' ' ' VAL . 72.0 mm-40 -90.89 -12.58 35.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.625 -178.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 57.86 47.53 15.09 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -175.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.512 HG13 ' HB2' ' B' ' 26' ' ' GLU . 33.2 m -70.53 147.97 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.974 -174.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 4.4 t -84.76 147.93 50.06 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.596 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.417 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 60.9 Cg_exo -41.24 -46.43 5.51 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.721 2.947 . . . . 0.0 113.795 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -58.08 -48.65 79.49 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.119 0.485 . . . . 0.0 110.975 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.407 HD11 ' CD2' ' A' ' 7' ' ' TYR . 62.5 tp -65.87 -39.11 90.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.577 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.72 -51.03 70.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.942 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 91.8 mt -59.2 -42.69 91.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.557 -177.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttp -62.92 -43.03 99.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.019 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 61.9 m -72.98 -47.07 48.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.035 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.548 ' O ' HG23 ' B' ' 41' ' ' VAL . 95.4 mt -63.39 -47.79 80.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.73 -32.07 82.33 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.187 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -68.2 -41.66 81.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 109.71 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.63 -43.67 96.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.856 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 37' ' ' LEU . 60.5 t -56.62 -45.3 82.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.303 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.448 HG22 ' HB2' ' A' ' 67' ' ' SER . 91.2 m -58.96 -41.12 86.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.216 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -67.52 -29.58 69.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.037 0.446 . . . . 0.0 110.662 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 mm -74.93 -46.72 39.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.717 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.04 -32.48 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.075 0.464 . . . . 0.0 111.195 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.7 -26.24 68.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.328 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -87.03 -3.75 59.11 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -87.57 146.18 38.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.554 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.84 134.61 63.74 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 121.991 1.794 . . . . 0.0 112.065 173.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.55 ' HA ' ' HD3' ' B' ' 53' ' ' ARG . 20.1 tt0 -58.27 -26.19 62.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.445 -175.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 35.3 t -54.14 -29.84 46.74 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.733 0.301 . . . . 0.0 111.38 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.421 ' O ' HG22 ' B' ' 56' ' ' VAL . 0.1 OUTLIER -124.57 20.58 8.64 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.371 -0.206 . . . . 0.0 110.918 -179.482 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.55 ' HD3' ' HA ' ' B' ' 50' ' ' GLU . 0.0 OUTLIER -63.96 -45.16 90.39 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.0 0.429 . . . . 0.0 111.844 -175.222 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.32 -30.41 15.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.13 87.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.137 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.421 HG22 ' O ' ' B' ' 52' ' ' LYS . 17.1 m -65.74 -38.63 82.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -178.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.7 p -76.87 -34.22 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.946 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -45.2 80.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.583 0.23 . . . . 0.0 110.806 177.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.81 -42.32 99.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 110.565 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.56 -53.05 62.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.342 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.46 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 29.1 p -65.69 -43.25 89.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.482 -176.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 52.4 tttp -56.55 -55.27 35.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.77 76.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.129 -176.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 tt -70.39 -41.4 73.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.244 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' B' ' 61' ' ' THR . 68.3 mttm -57.99 -48.31 80.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.038 0.447 . . . . 0.0 110.486 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 20.5 mt-30 -62.09 -41.54 98.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.194 -177.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.0 m -68.71 -26.32 65.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.584 -176.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.411 HG21 ' HG1' ' A' ' 42' ' ' THR . 74.4 t -75.36 -46.53 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.433 176.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.51 -34.89 79.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.827 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -93.51 14.8 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.656 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.7 80.66 5.89 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 175.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -70.53 139.82 51.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.549 -173.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -89.43 14.42 11.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.953 -169.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 29.7 m80 57.29 55.18 6.05 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.075 0.464 . . . . 0.0 110.571 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -76.63 122.24 24.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.616 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 . . . . . 0 C--O 1.245 0.828 0 CA-C-O 119.042 -0.504 . . . . 0.0 109.869 -177.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tmm? . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -72.33 141.65 35.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.999 2.466 . . . . 0.0 112.791 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 tt -120.48 20.92 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.926 0.869 . . . . 0.0 109.364 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.3 m -58.07 -30.56 39.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.475 -175.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m -130.27 123.59 30.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.708 0.289 . . . . 0.0 110.329 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.539 ' HD2' ' CZ ' ' A' ' 7' ' ' TYR . 23.2 mmtt -98.94 -82.13 0.44 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.744 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.579 ' HH ' ' HB2' ' B' ' 31' ' ' ASP . 6.3 m-85 -137.13 148.08 46.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -174.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.5 m -76.53 135.28 39.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.773 0.32 . . . . 0.0 110.138 176.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -57.61 -42.61 83.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.57 -176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.03 -40.45 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.177 0.298 . . . . 0.0 111.133 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 15' ' ' ILE . 53.5 ttt85 -64.85 -47.95 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.292 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 16' ' ' ILE . 40.4 t -60.31 -45.39 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 110.13 178.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -56.83 -45.12 82.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.731 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -62.54 -43.44 98.81 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.081 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 11' ' ' ARG . 76.5 mt -58.02 -42.63 83.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.835 0.35 . . . . 0.0 110.205 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 12' ' ' VAL . 68.1 mt -59.89 -46.16 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.295 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -64.0 -40.75 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.918 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.67 -41.14 94.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.981 0.419 . . . . 0.0 110.76 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 79.1 mt -62.8 -41.18 99.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.084 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 98.1 mt -65.21 -35.68 81.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.509 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.86 -41.17 77.48 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.253 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.23 -45.94 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.716 176.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.66 -39.56 91.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.253 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.0 t -74.7 -30.38 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.741 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -59.6 -43.42 93.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.179 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -90.13 -16.9 28.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.762 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 56.53 54.67 7.2 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.588 0.709 . . . . 0.0 110.62 -174.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.72 156.65 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.157 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.7 p -79.0 159.75 72.71 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.554 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 70.7 Cg_exo -52.3 -40.38 70.35 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.203 1.936 . . . . 0.0 111.7 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -65.96 -50.18 65.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.839 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' HB2' ' CE1' ' B' ' 7' ' ' TYR . 49.6 tp -59.63 -38.11 80.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.43 77.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.625 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 85.8 mt -62.29 -43.99 97.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.03 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 52.9 ttp -63.31 -41.45 98.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.291 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.0 m -72.69 -49.52 30.89 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.955 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.57 ' O ' HG22 ' A' ' 41' ' ' VAL . 95.1 mt -63.13 -50.41 70.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.16 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.17 -36.05 91.79 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.359 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 35' ' ' MET . 14.8 t-20 -67.96 -41.55 82.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.177 0.513 . . . . 0.0 109.815 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.38 93.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.767 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 37' ' ' LEU . 98.6 t -58.36 -45.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.189 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.2 m -57.96 -42.96 86.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.931 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -61.26 -36.96 81.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.203 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.52 -46.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.832 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.517 HG23 ' HB ' ' A' ' 57' ' ' VAL . 73.0 mt -63.73 -29.15 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.033 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.12 -22.49 66.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.183 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -86.98 -3.32 59.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 110.624 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.717 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 48.0 t -85.66 136.66 36.74 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.44 133.55 43.57 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.087 1.858 . . . . 0.0 113.014 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.524 ' CD ' HH21 ' A' ' 53' ' ' ARG . 5.4 tp10 -32.99 -52.02 0.32 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.314 -1.312 . . . . 0.0 113.546 -179.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -55.13 -31.47 61.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.292 -172.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.7 6.75 10.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.944 0.402 . . . . 0.0 110.714 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.717 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 23.0 ttp180 -81.83 -37.6 26.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.147 -173.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.19 -35.97 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.311 0.576 . . . . 0.0 110.082 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.71 -49.42 68.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.432 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.37 -37.85 80.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -175.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.517 ' HB ' HG23 ' A' ' 45' ' ' ILE . 11.1 p -70.28 -36.28 66.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 120.753 0.311 . . . . 0.0 111.374 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -77.54 -40.74 41.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.346 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -62.17 -39.85 94.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.476 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -54.47 -57.55 10.9 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.573 0.701 . . . . 0.0 110.263 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.588 HG21 HG21 ' B' ' 61' ' ' THR . 4.0 p -68.66 -35.1 76.79 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.941 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -66.44 -46.79 75.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 110.393 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.92 -30.94 71.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 tt -69.38 -41.19 76.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.225 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 61' ' ' THR . 10.9 mmmm -57.6 -44.3 85.34 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.074 0.464 . . . . 0.0 109.967 175.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.06 -42.74 84.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.244 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.791 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 19.9 p -77.41 -3.82 42.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.441 -176.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.2 t -95.26 -30.86 4.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.955 0.407 . . . . 0.0 110.234 170.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 94.8 mt -75.41 -59.85 2.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.462 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -77.12 -43.52 33.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.109 0.48 . . . . 0.0 111.116 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.791 ' HB3' ' O ' ' A' ' 67' ' ' SER . 45.1 t-80 -82.04 55.53 2.83 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.813 0.816 . . . . 0.0 109.767 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -87.54 42.75 1.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.817 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 56.88 138.26 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.305 1.442 . . . . 0.0 112.817 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -170.72 112.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.719 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -62.63 135.21 57.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.129 0.49 . . . . 0.0 111.246 -174.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.427 179.44 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtm . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.512 0.196 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.44 -57.84 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.869 2.379 . . . . 0.0 111.834 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.401 HG13 ' N ' ' B' ' 4' ' ' VAL . 10.8 tp -173.75 162.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.401 ' N ' HG13 ' B' ' 3' ' ' ILE . 35.9 m -102.81 169.44 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 176.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -64.9 121.34 14.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 0.0 110.768 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -145.94 -45.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.058 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 71.1 m-85 -79.04 139.86 38.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.456 177.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.407 ' O ' HG23 ' B' ' 12' ' ' VAL . 2.6 p -96.38 123.15 39.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.048 176.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -58.06 -37.53 74.61 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.697 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.18 -33.54 74.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.526 ' O ' HG13 ' B' ' 15' ' ' ILE . 68.8 ttt180 -76.81 -45.78 27.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.277 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.407 HG23 ' O ' ' B' ' 8' ' ' SER . 94.1 t -57.19 -46.91 84.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.947 0.403 . . . . 0.0 110.569 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.82 -39.75 90.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.233 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -64.77 -41.48 95.83 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.165 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.526 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.7 mt -62.78 -49.21 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.986 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.412 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 68.9 mt -58.63 -44.2 89.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.23 0.538 . . . . 0.0 110.503 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -64.19 -43.89 93.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.586 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.456 ' O ' HG22 ' B' ' 22' ' ' VAL . 3.5 t70 -60.79 -42.75 98.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.785 -177.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.79 -43.1 90.37 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.279 0.561 . . . . 0.0 110.336 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.536 ' O ' HG23 ' B' ' 24' ' ' VAL . 99.2 mt -61.17 -45.8 93.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.123 177.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -56.43 -35.67 68.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.246 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.457 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 77.1 t -63.83 -47.85 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.334 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.42 ' C ' HD12 ' B' ' 23' ' ' LEU . 4.2 pp -78.4 -16.51 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.359 -178.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 20' ' ' LEU . 25.6 t -71.48 -40.21 71.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.642 176.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 14.9 pttm -74.43 -22.97 58.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.413 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 39.2 mm-40 -83.6 -23.95 31.7 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.935 174.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 58.67 61.25 2.26 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.841 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.17 149.15 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.295 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.459 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 31.8 p -90.08 168.13 15.31 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.362 174.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.459 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 77.7 Cg_exo -51.0 -47.01 27.64 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.295 1.997 . . . . 0.0 111.916 177.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.579 ' HB2' ' HH ' ' A' ' 7' ' ' TYR . 4.7 m-20 -60.07 -46.71 88.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.617 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 48.4 tp -69.74 -39.59 76.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.01 -175.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.6 -50.89 72.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.95 -40.85 98.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.031 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 44.1 ttp -66.72 -41.1 88.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.823 -175.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 21.2 p -76.61 -43.54 38.05 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.858 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.524 ' O ' HG21 ' B' ' 41' ' ' VAL . 92.5 mt -62.53 -41.15 98.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.601 0.239 . . . . 0.0 111.091 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.23 -43.53 97.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.637 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.589 ' HA ' HG23 ' B' ' 42' ' ' THR . 31.9 m-80 -73.2 -23.69 60.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.254 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.99 -32.41 69.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.964 0.411 . . . . 0.0 110.26 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.524 HG21 ' O ' ' B' ' 37' ' ' LEU . 66.0 t -77.28 -45.84 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.769 -177.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.589 HG23 ' HA ' ' B' ' 39' ' ' ASN . 7.8 t -60.49 -33.77 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.93 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -64.77 -32.74 74.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.84 0.352 . . . . 0.0 110.533 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -79.58 -48.26 21.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.809 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.424 HG21 ' HG3' ' B' ' 53' ' ' ARG . 58.5 mt -67.03 -28.51 43.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.482 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.5 -12.5 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -91.35 -13.55 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.351 0.596 . . . . 0.0 110.025 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 47.6 t -81.62 133.79 52.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.607 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.692 ' HB2' ' HD3' ' B' ' 52' ' ' LYS . 84.6 Cg_exo -46.74 130.2 15.09 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.08 2.52 . . . . 0.0 112.601 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.616 ' HG2' ' CZ ' ' B' ' 53' ' ' ARG . 22.1 mt-10 -56.75 -31.65 64.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.989 -173.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -56.43 -28.23 58.89 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.466 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.692 ' HD3' ' HB2' ' B' ' 49' ' ' PRO . 0.0 OUTLIER -125.11 4.14 7.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.801 0.334 . . . . 0.0 110.874 177.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.616 ' CZ ' ' HG2' ' B' ' 50' ' ' GLU . 42.5 ttm180 -64.68 -35.31 80.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.382 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 48.8 t -64.26 -34.69 70.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.764 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.34 -47.89 53.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.327 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.84 -37.08 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -176.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.511 HG21 ' HD2' ' A' ' 65' ' ' LYS . 12.7 p -70.64 -35.48 61.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 110.739 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.81 -45.75 67.22 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -57.38 -44.69 84.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.045 176.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.43 ' CE2' HG13 ' B' ' 41' ' ' VAL . 87.9 t80 -57.32 -54.3 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.582 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.588 HG21 HG21 ' A' ' 61' ' ' THR . 10.2 p -68.21 -35.4 77.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.558 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -61.17 -54.57 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 174.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.22 -33.74 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.15 -49.19 68.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.44 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' B' ' 61' ' ' THR . 62.0 mttm -57.54 -45.97 84.45 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.19 0.519 . . . . 0.0 109.779 176.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -57.5 -49.59 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.348 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.0 m -68.24 -39.25 82.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.75 -174.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 69.4 t -67.45 -44.63 86.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.661 0.267 . . . . 0.0 111.193 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 97.6 mt -69.44 -23.38 63.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.216 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -86.23 -34.45 20.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.173 0.511 . . . . 0.0 110.697 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -64.18 99.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.154 0.502 . . . . 0.0 110.42 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -60.62 145.58 48.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.096 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -82.81 74.74 9.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.401 0.62 . . . . 0.0 109.59 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 32.8 m170 67.38 171.11 0.26 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.285 -173.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -119.64 95.62 4.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.553 0.692 . . . . 0.0 110.625 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 73.5 t60 . . . . . 0 C--O 1.245 0.822 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.275 -179.849 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.478 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 24.4 mmt . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.747 0.308 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 12.8 Cg_exo -70.01 147.23 60.78 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.937 2.424 . . . . 0.0 112.738 -178.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt 48.2 36.36 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.607 1.163 . . . . 0.0 113.218 173.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.9 m -58.51 99.59 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.979 0.418 . . . . 0.0 111.048 176.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 77.7 p 59.24 1.79 0.25 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.372 1.069 . . . . 0.0 112.181 -175.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.686 ' HZ1' ' HB2' ' A' ' 6' ' ' LYS . 8.1 mtmp? 66.04 -66.14 0.17 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.208 0.603 . . . . 0.0 110.404 -172.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -150.27 121.58 7.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 174.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.6 m -81.97 160.08 23.41 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -58.49 -34.43 70.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.668 0.271 . . . . 0.0 110.449 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -64.85 -30.16 71.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.821 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' O ' HG13 ' A' ' 15' ' ' ILE . 54.6 ttt180 -76.77 -35.95 57.37 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 16' ' ' ILE . 60.8 t -58.74 -47.93 87.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 176.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.533 177.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -69.05 -47.88 64.23 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.739 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 11' ' ' ARG . 77.6 mt -58.58 -38.38 70.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.804 0.335 . . . . 0.0 110.663 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.478 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 73.6 mt -62.81 -41.18 91.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.081 175.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.33 -43.1 87.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.86 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.17 -48.88 70.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.05 0.452 . . . . 0.0 110.25 175.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 90.1 mt -64.76 -45.28 87.04 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.094 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 71.9 mt -61.57 -34.43 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.833 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.549 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 17.9 t70 -63.46 -40.99 98.59 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.395 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.437 HG13 ' HB3' ' B' ' 18' ' ' ASP . 61.1 t -58.02 -40.19 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.508 0.671 . . . . 0.0 110.455 176.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.474 HD22 HG22 ' A' ' 28' ' ' VAL . 84.2 mt -74.52 -37.08 63.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.398 -178.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.483 HG13 ' HA ' ' A' ' 21' ' ' ASP . 2.3 p -77.17 -23.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.339 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 56.4 mttp -52.13 -47.19 65.48 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.242 0.544 . . . . 0.0 109.764 170.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.516 ' HG3' HG12 ' B' ' 15' ' ' ILE . 8.4 mm-40 -98.85 -10.84 22.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.969 -173.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 52.76 53.36 12.28 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.25 0.548 . . . . 0.0 109.803 -172.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.474 HG22 HD22 ' A' ' 23' ' ' LEU . 34.3 m -61.74 148.76 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.166 -174.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 40.9 p -81.94 164.77 47.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.651 174.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.436 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 71.1 Cg_exo -50.51 -47.33 25.16 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.432 2.088 . . . . 0.0 112.696 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -66.8 -41.76 87.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.836 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.6 tp -66.36 -42.42 88.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.482 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.64 -55.37 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.105 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.464 HD21 HG11 ' B' ' 41' ' ' VAL . 72.7 mt -64.11 -37.35 87.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.158 -175.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.9 ttp -64.98 -42.43 94.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.933 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.3 m -67.34 -43.68 80.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.46 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.3 mt -61.44 -44.66 96.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.73 -43.07 86.66 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.003 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -67.89 -38.38 82.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.707 0.289 . . . . 0.0 110.623 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.42 -46.27 89.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.768 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 37' ' ' LEU . 54.6 t -60.64 -48.18 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.627 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.1 m -58.85 -37.39 76.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.7 -39.01 92.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.561 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -70.85 -44.9 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.493 HG22 ' HB ' ' A' ' 57' ' ' VAL . 62.2 mt -67.2 -23.95 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.357 0.599 . . . . 0.0 111.059 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.474 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -73.06 -10.39 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.281 178.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -97.38 0.28 47.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.221 0.534 . . . . 0.0 110.461 178.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.528 ' HB ' ' HG3' ' A' ' 53' ' ' ARG . 25.9 t -93.13 132.65 30.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.835 -177.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -61.93 129.24 26.74 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.356 2.037 . . . . 0.0 111.845 174.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -33.17 -44.99 0.13 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.517 1.127 . . . . 0.0 113.891 177.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 t -51.04 -23.15 2.78 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.536 0.523 . . . . 0.0 111.866 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.446 ' HG3' ' CG1' ' A' ' 48' ' ' VAL . 20.9 ptmt -135.26 1.96 2.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.198 176.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.528 ' HG3' ' HB ' ' A' ' 48' ' ' VAL . 20.7 ttm-85 -71.94 -40.95 68.35 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.104 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.3 t -70.71 -34.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.216 0.532 . . . . 0.0 109.841 -178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.33 68.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.341 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.3 m -68.06 -37.29 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.719 HG22 ' HG2' ' B' ' 65' ' ' LYS . 10.1 p -70.7 -39.2 75.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.092 -177.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.517 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 7.2 t70 -74.13 -36.55 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.38 -39.91 92.41 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.259 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -59.13 -49.84 76.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.194 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.595 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 65.5 p -67.46 -29.09 68.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.015 -179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -67.18 -51.34 54.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.738 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.47 77.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 68' ' ' VAL . 22.5 mt -58.2 -55.8 30.33 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.234 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' O ' HD11 ' A' ' 69' ' ' LEU . 97.1 mttt -64.97 -27.54 68.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.883 0.373 . . . . 0.0 111.082 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -71.06 -39.93 71.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.821 0.344 . . . . 0.0 110.58 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 p -80.81 -36.45 31.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.258 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 64' ' ' LEU . 71.2 t -66.01 -28.31 43.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 120.931 0.396 . . . . 0.0 110.906 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.447 HD11 ' O ' ' A' ' 65' ' ' LYS . 9.8 mp -85.57 -2.6 58.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.014 0.435 . . . . 0.0 110.666 174.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.535 ' HG3' ' H ' ' A' ' 71' ' ' HIS . 7.9 tp10 -110.53 -117.67 0.29 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.535 ' H ' ' HG3' ' A' ' 70' ' ' GLU . 30.9 p80 41.32 33.23 0.25 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.178 0.991 . . . . 0.0 112.769 -176.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -65.33 -30.94 71.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 0.0 110.927 -176.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.76 109.36 10.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.51 177.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -87.18 -41.5 13.7 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -82.34 124.42 29.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.372 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.4 m170 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.068 176.528 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.417 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 3.9 mpp? . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 13.6 Cg_exo -69.98 100.6 0.86 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.779 2.319 . . . . 0.0 111.309 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.456 HG22 HG11 ' B' ' 4' ' ' VAL . 41.5 mt -73.54 -79.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.177 -175.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.456 HG11 HG22 ' B' ' 3' ' ' ILE . 27.3 m -137.35 18.61 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.156 0.503 . . . . 0.0 110.123 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 9.9 p -77.32 80.03 3.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.45 -175.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -122.85 -11.63 8.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.091 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.455 ' HB2' ' H ' ' B' ' 8' ' ' SER . 7.5 p90 40.4 -144.69 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 124.211 0.945 . . . . 0.0 112.309 -174.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.455 ' H ' ' HB2' ' B' ' 7' ' ' TYR . 26.1 t -153.35 147.41 25.56 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -61.41 -35.34 77.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -54.18 -48.74 70.62 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.353 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.607 ' O ' HG13 ' B' ' 15' ' ' ILE . 60.1 ttt180 -65.07 -42.78 93.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.51 -177.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 8' ' ' SER . 61.6 t -58.28 -51.63 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.218 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -62.04 -34.73 76.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.593 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' B' ' 14' ' ' LYS . 37.9 ttmt -70.8 -37.94 73.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.961 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.607 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.5 mt -62.7 -45.65 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.077 0.465 . . . . 0.0 110.232 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.517 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 64.6 mt -57.39 -38.24 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.283 177.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.88 -42.66 80.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.106 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.437 ' HB3' HG13 ' A' ' 22' ' ' VAL . 4.2 t70 -63.6 -35.35 80.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.103 0.477 . . . . 0.0 109.813 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.97 -43.67 95.04 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.366 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 97.7 mt -63.65 -43.12 97.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.713 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -50.56 -44.21 56.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.005 0.431 . . . . 0.0 110.602 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.87 -48.97 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.213 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.49 -43.85 96.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.435 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -71.89 -29.46 33.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.676 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -61.26 -38.36 86.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.463 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.646 ' HB2' HG11 ' B' ' 28' ' ' VAL . 52.0 mm-40 -87.99 -19.15 27.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.488 -177.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 60.79 41.9 14.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -173.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.646 HG11 ' HB2' ' B' ' 26' ' ' GLU . 29.5 m -58.3 145.54 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.935 -173.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.523 HG21 ' HD2' ' B' ' 30' ' ' PRO . 0.2 OUTLIER -80.28 148.77 67.79 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.003 173.309 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.587 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 80.5 Cg_exo -46.82 -48.91 13.22 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.724 2.283 . . . . 0.0 113.012 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.28 -44.48 95.33 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.101 0.477 . . . . 0.0 110.62 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.0 tp -64.83 -44.27 90.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.71 83.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.817 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 83.5 mt -61.01 -42.63 98.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.095 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.502 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 53.3 ttp -64.72 -43.2 94.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 70.8 m -73.7 -44.47 56.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.498 0.189 . . . . 0.0 111.392 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.494 ' O ' HG23 ' B' ' 41' ' ' VAL . 95.4 mt -66.73 -46.59 74.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.551 0.215 . . . . 0.0 111.083 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.2 -32.86 85.59 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.261 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' B' ' 35' ' ' MET . 11.0 t-20 -66.94 -34.73 78.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.379 0.609 . . . . 0.0 110.018 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.29 -30.42 66.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.108 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 37' ' ' LEU . 91.5 t -68.34 -48.46 72.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.882 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -71.65 -19.13 62.14 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.92 -176.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -69.84 -43.83 71.15 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.23 -41.75 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.61 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.34 -25.67 35.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.411 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.73 -16.78 61.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.879 0.371 . . . . 0.0 111.159 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -85.81 -24.54 26.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.521 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.524 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 35.6 m -95.42 161.73 26.92 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.254 178.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.524 ' HD2' ' HB ' ' B' ' 48' ' ' VAL . 38.6 Cg_endo -67.53 153.42 76.49 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.81 2.34 . . . . 0.0 112.813 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' B' ' 53' ' ' ARG . 1.8 mp0 -55.96 -30.43 61.71 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.102 -177.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -60.27 -16.17 31.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.518 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -112.66 -22.38 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.107 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' B' ' 49' ' ' PRO . 99.1 mtt180 -59.16 -59.71 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.822 -175.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.1 -36.93 77.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.239 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.13 -53.84 43.21 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.846 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.25 -46.71 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.638 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.408 HG11 ' O ' ' B' ' 53' ' ' ARG . 14.9 p -63.92 -35.86 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.79 -175.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' B' ' 62' ' ' LYS . 38.6 t70 -70.42 -39.37 74.45 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.576 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -69.78 -40.7 75.89 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.237 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.18 -53.8 53.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.102 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.595 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 28.2 p -64.29 -44.28 92.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.606 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' B' ' 58' ' ' ASP . 11.7 ttmm -58.64 -53.27 60.23 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.89 178.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.09 93.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.2 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.455 ' O ' HG21 ' B' ' 68' ' ' VAL . 2.1 mt -50.81 -58.77 5.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.381 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.719 ' HG2' HG22 ' A' ' 57' ' ' VAL . 53.3 mtmt -65.92 -36.39 83.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.563 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' B' ' 66' ' ' GLN . 15.7 mm-40 -68.93 -39.42 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.685 0.279 . . . . 0.0 111.119 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 24.8 m -68.47 -34.69 76.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.921 0.391 . . . . 0.0 110.703 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.455 HG21 ' O ' ' B' ' 64' ' ' LEU . 78.6 t -66.2 -41.73 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.461 176.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 96.5 mt -67.52 -34.16 76.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.862 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -78.79 -13.13 59.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.121 0.486 . . . . 0.0 110.938 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -79.87 11.32 3.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.204 0.526 . . . . 0.0 110.216 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -65.92 -31.75 72.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.481 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -155.17 132.74 11.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.511 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.409 ' O ' ' HB3' ' B' ' 75' ' ' HIS . 14.4 m80 -75.44 133.06 41.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 172.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' B' ' 74' ' ' HIS . 53.7 t-80 72.04 119.42 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 O-C-N 124.013 0.82 . . . . 0.0 110.651 -175.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.27 177.128 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -68.62 144.27 59.72 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.836 2.357 . . . . 0.0 111.716 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -112.26 89.18 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.822 0.82 . . . . 0.0 112.192 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.09 7.8 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.539 177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m -74.59 103.16 4.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.276 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -95.86 -29.83 13.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.191 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.87 ' HH ' ' HB2' ' B' ' 31' ' ' ASP . 11.2 m-85 -135.89 169.35 17.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.762 -177.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.7 t -81.96 124.81 30.09 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.96 -35.27 74.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.019 0.438 . . . . 0.0 110.641 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -61.69 -36.69 81.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.1 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -72.67 -36.87 68.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.161 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.11 -50.16 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.087 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -56.39 -35.39 67.69 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.038 177.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -64.59 -51.71 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 178.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.417 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 78.5 mt -62.23 -38.89 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -176.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.49 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 79.8 mt -59.74 -42.11 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 110.005 175.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -62.42 -45.86 91.21 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.533 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -60.54 -40.67 92.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.483 HD12 HD21 ' B' ' 37' ' ' LEU . 96.8 mt -67.59 -40.29 84.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 178.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 93.5 mt -61.86 -39.42 91.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.185 177.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -34.39 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.219 178.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.03 -47.64 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.277 0.56 . . . . 0.0 110.064 174.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.28 -42.94 99.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.914 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.94 -36.51 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.048 0.451 . . . . 0.0 110.993 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -62.11 -31.36 71.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.287 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.589 ' HB2' HG11 ' A' ' 28' ' ' VAL . 54.0 mm-40 -98.0 -16.75 19.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.264 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.81 43.44 25.05 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.118 0.485 . . . . 0.0 110.498 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.589 HG11 ' HB2' ' A' ' 26' ' ' GLU . 26.8 m -64.63 137.54 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.879 -176.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.7 p -78.41 162.25 66.91 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.127 175.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.465 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 83.8 Cg_exo -46.25 -56.88 2.56 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.072 2.515 . . . . 0.0 113.296 -178.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.03 -45.86 86.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.87 -44.23 93.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.696 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.09 86.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.266 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.9 mt -59.58 -44.62 93.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 -178.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.442 ' HE3' HG11 ' B' ' 12' ' ' VAL . 50.8 ttp -64.61 -30.01 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.199 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.523 ' HA ' HG12 ' B' ' 16' ' ' ILE . 64.0 m -82.32 -47.9 11.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.861 0.362 . . . . 0.0 110.954 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.572 ' O ' HG21 ' A' ' 41' ' ' VAL . 97.5 mt -63.92 -50.27 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.508 -177.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.69 -30.7 78.44 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.51 -42.37 74.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.143 0.496 . . . . 0.0 109.797 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.87 95.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.646 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 37' ' ' LEU . 57.6 t -58.77 -52.05 64.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.089 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.8 m -60.24 -35.71 76.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.325 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -64.41 -38.48 91.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.344 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.8 tt -85.11 -25.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.181 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 41' ' ' VAL . 72.3 mt -64.93 -30.54 50.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.143 0.497 . . . . 0.0 109.766 173.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.55 -8.13 55.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.076 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -92.08 -9.78 41.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.455 0.645 . . . . 0.0 109.319 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.0 t -92.98 139.79 23.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.387 177.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.63 139.48 47.81 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.757 2.305 . . . . 0.0 112.504 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.526 ' HA ' ' HG3' ' A' ' 53' ' ' ARG . 43.6 mt-10 -56.36 -26.48 52.9 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.06 -177.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 t -48.08 -40.83 24.47 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.48 0.488 . . . . 0.0 111.374 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -123.37 15.51 9.7 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.526 ' HG3' ' HA ' ' A' ' 50' ' ' GLU . 94.2 mtt180 -61.06 -40.85 95.23 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.922 0.391 . . . . 0.0 110.638 178.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -69.48 -38.37 76.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.434 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.93 79.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.544 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.13 -37.53 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.8 p -75.18 -32.72 26.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.136 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.17 -33.73 61.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.843 0.354 . . . . 0.0 110.455 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -69.5 -32.79 71.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.994 0.426 . . . . 0.0 110.276 174.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.38 -50.34 65.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.923 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.7 p -65.52 -31.78 73.03 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -57.81 -57.16 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.754 174.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.2 88.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.462 -177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.4 mt -55.78 -57.27 12.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.301 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -56.92 -39.14 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -70.43 -34.51 72.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.694 -176.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 t -89.1 -10.91 45.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.84 0.352 . . . . 0.0 111.321 -176.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.3 t -92.92 -44.53 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.899 177.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.66 -39.57 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.188 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -129.18 111.08 12.55 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 173.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -108.89 -6.82 15.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.115 -172.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -173.61 -70.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -167.98 95.97 0.43 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.791 169.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -54.86 132.87 47.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.462 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -77.04 146.08 37.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.059 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.7 m170 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.708 175.308 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.2 mtp . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.45 133.12 11.59 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.64 2.227 . . . . 0.0 111.978 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -78.13 92.54 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.598 0.714 . . . . 0.0 110.856 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.49 134.45 44.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.952 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -166.01 162.34 17.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.341 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -137.6 17.54 2.9 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 59.77 -164.98 0.21 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.67 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.434 ' O ' HG23 ' B' ' 12' ' ' VAL . 16.8 m -80.12 112.24 17.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -60.0 -41.63 92.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -173.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.82 -40.96 76.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.32 176.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.567 ' O ' HG13 ' B' ' 15' ' ' ILE . 78.1 ttt180 -68.84 -42.74 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.518 178.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.442 HG11 ' HE3' ' A' ' 35' ' ' MET . 96.6 t -55.23 -46.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.923 0.392 . . . . 0.0 110.481 178.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -65.37 -35.47 81.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.01 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -69.88 -26.14 64.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.004 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 11' ' ' ARG . 79.1 mt -68.64 -47.01 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.523 HG12 ' HA ' ' A' ' 36' ' ' CYS . 52.5 mt -58.94 -44.75 91.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.854 174.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.47 ' HA ' HD11 ' B' ' 20' ' ' LEU . 18.3 tm0? -67.44 -32.06 72.67 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.413 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.55 -35.89 78.04 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 85.3 mt -61.42 -45.65 93.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.605 172.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.47 HD11 ' HA ' ' B' ' 17' ' ' GLN . 85.5 mt -62.14 -36.95 83.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.661 177.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.441 ' HA ' HG11 ' B' ' 24' ' ' VAL . 26.2 t70 -63.79 -35.91 82.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.737 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 93.3 t -73.32 -37.26 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.085 0.469 . . . . 0.0 110.114 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.543 HD21 HG22 ' B' ' 28' ' ' VAL . 90.8 mt -63.12 -39.46 94.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.631 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.441 HG11 ' HA ' ' B' ' 21' ' ' ASP . 10.4 p -83.73 -25.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.707 0.289 . . . . 0.0 110.38 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -53.7 -47.58 70.35 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.1 0.476 . . . . 0.0 110.487 172.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.51 -10.97 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.406 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 54.11 66.93 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.51 -173.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.543 HG22 HD21 ' B' ' 23' ' ' LEU . 19.8 m -76.94 173.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.602 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.521 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 25.6 p -111.37 166.99 9.73 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.76 176.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 7.1 Cg_endo -50.35 -49.75 15.54 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.768 2.312 . . . . 0.0 112.419 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.87 ' HB2' ' HH ' ' A' ' 7' ' ' TYR . 1.3 m-20 -54.17 -51.22 65.02 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.677 0.751 . . . . 0.0 110.363 177.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -67.87 -39.21 83.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.827 -173.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.37 -50.18 70.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.182 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.45 -44.61 92.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.726 0.298 . . . . 0.0 111.163 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 42.7 ttp -63.96 -38.41 90.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.44 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m -77.09 -47.66 19.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.673 0.273 . . . . 0.0 110.999 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.599 ' O ' HG21 ' B' ' 41' ' ' VAL . 94.8 mt -61.95 -49.62 75.4 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.998 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.84 -31.43 75.85 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.412 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.81 -45.27 78.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.235 0.54 . . . . 0.0 109.7 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.87 95.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.742 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.599 HG21 ' O ' ' B' ' 37' ' ' LEU . 55.7 t -58.03 -49.99 79.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 121.177 0.513 . . . . 0.0 109.83 177.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.1 m -63.3 -33.26 75.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.145 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -63.47 -48.29 78.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.742 177.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.36 -41.85 93.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.239 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.503 HG13 ' O ' ' B' ' 41' ' ' VAL . 69.6 mt -62.89 -31.39 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.237 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.92 -14.31 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.873 0.368 . . . . 0.0 111.247 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -93.38 -3.03 54.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.554 0.693 . . . . 0.0 110.128 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.513 ' O ' ' HD3' ' B' ' 53' ' ' ARG . 48.6 t -85.53 140.63 36.05 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.578 178.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.86 145.66 90.74 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.091 1.86 . . . . 0.0 112.028 175.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.433 ' CD ' HH21 ' B' ' 53' ' ' ARG . 5.2 tp10 -55.91 -32.45 63.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.379 -170.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 31.0 t -55.65 -47.78 76.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.418 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.422 ' HG3' ' CG1' ' B' ' 48' ' ' VAL . 18.2 ptpt -106.34 -1.8 22.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.357 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' B' ' 48' ' ' VAL . 24.5 ttp180 -62.0 -37.56 85.3 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 111.525 -175.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.15 -35.39 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.468 0.651 . . . . 0.0 110.016 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.72 -44.95 72.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.565 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.08 -39.05 84.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.441 ' HB ' HD13 ' B' ' 45' ' ' ILE . 7.2 p -70.87 -36.54 64.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.698 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.25 -44.59 71.64 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.57 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -61.58 -37.03 82.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.231 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.59 -54.54 44.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.156 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 41.4 p -63.11 -36.55 83.98 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.254 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -63.06 -49.31 75.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.467 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.67 88.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.147 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -56.19 -54.55 43.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.333 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -56.92 -42.56 80.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.008 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -69.24 -32.91 72.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.344 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.8 m -79.24 -23.32 43.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.71 -177.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.2 t -85.72 -41.07 15.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.907 0.384 . . . . 0.0 110.408 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.99 -56.61 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.261 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -80.83 -60.98 2.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.024 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 40.4 t60 65.6 -70.51 0.09 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.827 -178.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -60.52 101.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.69 0.619 . . . . 0.0 112.248 -172.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 42.6 t60 45.07 82.37 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 O-C-N 124.187 0.929 . . . . 0.0 112.275 174.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -125.89 113.47 17.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.278 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -174.8 126.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.168 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 C--O 1.245 0.823 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.235 179.018 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.6 p . . . . . 0 N--CA 1.45 -0.456 0 CA-C-O 120.503 0.192 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.97 -36.01 74.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.767 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -52.24 -48.98 64.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.259 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.5 ttt180 -66.98 -40.17 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.24 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 8' ' ' SER . 78.0 t -54.96 -50.53 61.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.742 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.92 -39.16 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.673 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -64.65 -37.55 87.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.01 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 11' ' ' ARG . 95.8 mt -65.73 -46.13 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.149 176.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 70.9 mt -59.2 -41.82 85.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.048 0.451 . . . . 0.0 109.915 176.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -57.47 -49.13 77.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.864 177.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.5 -38.46 91.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.563 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 96.1 mt -59.77 -41.92 92.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 175.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 24' ' ' VAL . 95.8 mt -63.4 -43.92 96.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.208 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.51 -40.46 75.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.732 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 73.6 t -58.64 -53.29 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.513 175.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.09 -39.13 91.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.483 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 20' ' ' LEU . 99.5 t -68.07 -41.84 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.556 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 14.6 pttm -70.84 -19.61 62.63 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.79 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 57.8 mm-40 -88.88 -11.92 43.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.313 176.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 49.84 64.25 1.85 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.444 -170.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.466 HG13 ' HB2' ' A' ' 26' ' ' GLU . 34.2 m -80.95 151.14 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.663 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.545 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 31.1 p -97.86 167.62 11.41 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.246 173.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.545 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 10.0 Cg_endo -53.85 -44.21 51.25 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.112 1.875 . . . . 0.0 111.69 175.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.31 -54.34 46.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.422 0.629 . . . . 0.0 110.014 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.35 -41.94 88.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.192 -175.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.16 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.942 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.09 -39.87 95.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.7 ttp -64.3 -43.99 93.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.353 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.0 m -70.42 -46.42 63.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.602 0.239 . . . . 0.0 111.221 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 41' ' ' VAL . 89.6 mt -62.51 -38.26 89.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.065 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.95 -46.05 91.45 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.508 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -69.62 -35.71 75.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.78 0.324 . . . . 0.0 110.639 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -62.83 -48.41 79.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.42 177.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.8 t -61.91 -43.15 97.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.726 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -56.52 -41.42 76.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.974 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.54 -32.63 72.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.884 0.374 . . . . 0.0 110.663 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 40' ' ' ALA . 46.2 mm -68.93 -44.4 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.073 0.463 . . . . 0.0 110.247 177.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 41' ' ' VAL . 59.1 mt -68.55 -20.91 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.479 0.657 . . . . 0.0 110.344 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.615 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -74.89 -10.66 59.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.91 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -93.89 -6.28 46.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.15 0.5 . . . . 0.0 110.004 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.0 t -96.91 127.48 38.93 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.187 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -52.46 136.33 56.21 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.983 2.455 . . . . 0.0 112.901 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.761 ' HG3' HH21 ' A' ' 53' ' ' ARG . 7.9 mt-10 -53.0 -21.87 4.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.2 t -65.69 -19.71 66.01 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.681 0.276 . . . . 0.0 111.399 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -139.69 11.31 2.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 111.075 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.761 HH21 ' HG3' ' A' ' 50' ' ' GLU . 12.9 ttm180 -70.39 -37.74 74.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.124 -173.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.4 t -75.52 -28.31 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.251 0.548 . . . . 0.0 109.857 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.78 -45.6 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.849 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.4 m -69.06 -38.16 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.744 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.5 p -71.03 -31.68 45.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.779 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -72.14 -43.09 65.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.697 0.284 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -67.28 -36.29 81.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.729 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.46 ' CE2' HG11 ' A' ' 41' ' ' VAL . 81.5 t80 -58.12 -56.09 26.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.287 0.565 . . . . 0.0 110.064 174.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.533 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 22.7 p -63.83 -38.25 90.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.447 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.98 -49.06 79.16 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.61 76.37 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.324 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 68' ' ' VAL . 21.3 mt -58.28 -58.07 10.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 176.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -64.26 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.094 -177.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -60.93 -51.23 70.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.862 0.363 . . . . 0.0 110.587 173.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 m -63.02 -39.65 95.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.321 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 64' ' ' LEU . 71.2 t -61.39 -40.75 87.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.359 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 C--N 1.328 -0.358 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.371 -179.388 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.506 ' O ' HG23 ' B' ' 12' ' ' VAL . 6.5 m . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -61.59 -37.59 84.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.242 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' B' ' 10' ' ' GLU . 1.8 mp0 -55.93 -50.99 69.2 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.437 ' O ' HG13 ' B' ' 15' ' ' ILE . 21.4 ttt180 -59.09 -43.38 91.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.893 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 8' ' ' SER . 88.5 t -57.79 -54.1 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.152 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.518 ' HA ' HD12 ' B' ' 16' ' ' ILE . 47.7 mt-10 -70.09 -26.53 64.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.553 -177.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -67.31 -44.56 78.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 110.406 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.437 HG13 ' O ' ' B' ' 11' ' ' ARG . 80.1 mt -61.44 -40.27 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.218 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' B' ' 13' ' ' GLU . 67.0 mt -57.95 -43.88 85.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.014 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.67 -46.34 79.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.097 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.403 ' O ' HG23 ' B' ' 22' ' ' VAL . 26.0 t70 -63.14 -32.8 74.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.969 -177.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.05 -43.8 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.13 0.49 . . . . 0.0 110.197 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 96.8 mt -64.03 -33.81 76.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.511 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.568 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 2.6 m-20 -58.41 -45.68 87.93 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.327 175.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 18' ' ' ASP . 49.1 t -56.55 -44.69 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.229 0.537 . . . . 0.0 110.433 177.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.476 HD22 HG21 ' B' ' 28' ' ' VAL . 86.1 mt -67.92 -33.92 75.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.555 -177.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' B' ' 21' ' ' ASP . 9.2 p -83.62 -25.41 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' B' ' 21' ' ' ASP . 96.3 mttt -62.38 -34.85 77.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.972 0.415 . . . . 0.0 110.346 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -98.45 -7.91 27.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.887 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 50.5 49.21 21.19 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.485 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.476 HG21 HD22 ' B' ' 23' ' ' LEU . 21.5 m -64.2 151.93 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.703 -175.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 82.7 p -81.58 159.6 66.41 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.716 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.6 -45.61 36.82 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.599 2.2 . . . . 0.0 112.228 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.57 -45.06 95.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 tp -66.06 -45.49 81.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.714 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.34 80.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.072 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.64 -40.97 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.2 ttp -67.42 -44.07 79.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.106 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 91.1 m -67.13 -46.89 72.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.133 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.572 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.0 mt -64.29 -40.53 96.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.779 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.67 -41.3 93.67 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.748 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -69.97 -37.01 75.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.734 0.302 . . . . 0.0 110.636 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.33 94.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.611 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 37' ' ' LEU . 63.0 t -60.94 -48.97 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.431 177.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 38.0 m -58.56 -40.16 82.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.323 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 48.2 t-20 -58.21 -44.63 88.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 110.184 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mm -67.75 -42.26 86.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.523 HD13 ' HB ' ' B' ' 57' ' ' VAL . 70.2 mt -65.72 -29.53 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.019 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.54 -22.34 63.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.047 0.451 . . . . 0.0 110.607 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.9 mt-30 -86.38 -5.95 59.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.283 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 28.7 t -94.14 135.65 24.35 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.97 140.51 58.89 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.102 2.534 . . . . 0.0 112.499 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' B' ' 53' ' ' ARG . 42.8 tt0 -58.32 -31.5 67.6 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -171.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 43.3 t -53.45 -33.34 53.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 0.0 111.183 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.84 3.11 10.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.775 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.479 ' CB ' ' HA ' ' B' ' 50' ' ' GLU . 41.8 ttm180 -64.1 -41.11 97.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.033 -176.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -73.83 -30.59 28.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.287 0.565 . . . . 0.0 110.215 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.65 -44.85 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.233 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.88 -38.3 81.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.523 ' HB ' HD13 ' B' ' 45' ' ' ILE . 7.7 p -71.15 -38.03 69.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.839 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.01 -47.45 74.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.279 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.88 -36.77 82.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.391 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.9 -53.92 52.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.978 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.533 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 41.1 p -64.5 -39.22 93.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.503 -178.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 87.6 tttt -61.35 -52.04 66.29 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.071 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.39 -32.73 74.29 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.222 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.465 ' O ' HG23 ' B' ' 68' ' ' VAL . 0.7 OUTLIER -57.24 -47.26 81.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.598 176.669 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -65.14 -34.95 79.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 23.0 mt-30 -62.15 -46.51 88.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 7.2 p -70.83 -35.41 72.45 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -175.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 64' ' ' LEU . 82.9 t . . . . . 0 C--O 1.235 0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 111.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -56.83 -32.63 65.94 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 123.328 0.393 . . . . 0.0 110.165 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.29 -40.61 97.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.481 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.463 ' O ' HG13 ' A' ' 15' ' ' ILE . 67.1 ttt180 -79.34 -39.07 33.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.712 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 16' ' ' ILE . 84.0 t -60.66 -41.0 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -55.18 -46.28 75.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.243 173.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -60.03 -45.91 91.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.583 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 11' ' ' ARG . 68.4 mt -61.83 -46.78 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.662 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 12' ' ' VAL . 75.9 mt -59.16 -46.78 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.391 . . . . 0.0 110.316 176.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -64.37 -37.14 86.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.827 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.413 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.1 t0 -70.53 -37.71 74.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.984 0.421 . . . . 0.0 110.042 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.77 -46.49 81.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.311 174.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 97.8 mt -64.29 -33.17 75.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.466 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.66 -34.91 78.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.408 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 18' ' ' ASP . 87.7 t -66.04 -42.68 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.121 0.486 . . . . 0.0 110.18 174.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.44 -33.4 75.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.663 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.7 t -80.8 -32.26 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.014 0.435 . . . . 0.0 110.638 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -55.32 -40.62 71.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.072 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' HG3' HG12 ' B' ' 15' ' ' ILE . 30.5 mm-40 -89.35 -22.89 22.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.972 176.144 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 56.64 75.04 0.37 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.708 -166.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.4 HG13 ' HB2' ' A' ' 26' ' ' GLU . 27.8 m -89.14 152.0 3.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.278 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -79.76 156.9 74.9 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -49.0 -42.54 38.12 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.411 2.074 . . . . 0.0 112.122 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -63.52 -51.13 66.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -62.54 -39.68 94.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.817 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.42 -55.03 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.0 -40.52 89.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.792 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.4 ttp -62.13 -45.56 92.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.7 m -67.83 -45.69 73.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.602 0.239 . . . . 0.0 110.789 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.7 mt -61.13 -42.79 99.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.894 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.85 -43.22 94.83 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.693 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -69.61 -35.47 75.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.668 0.271 . . . . 0.0 110.539 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.19 82.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.691 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 37' ' ' LEU . 57.3 t -60.26 -48.8 86.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.292 177.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.1 m -59.4 -37.4 77.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.1 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.56 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 43.5 t30 -60.19 -43.39 95.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.756 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -68.17 -43.05 85.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.216 0.531 . . . . 0.0 110.269 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.537 HG22 ' HG3' ' A' ' 53' ' ' ARG . 59.3 mt -68.72 -26.53 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.486 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.16 -16.35 59.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.786 0.327 . . . . 0.0 111.331 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 77.2 mt-30 -85.77 -34.77 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.864 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 45' ' ' ILE . 31.5 m -72.35 150.01 91.62 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.48 145.13 98.88 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.588 2.192 . . . . 0.0 111.203 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.685 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 15.4 tt0 -67.43 -8.72 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.083 0.468 . . . . 0.0 111.334 -174.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -61.94 -29.44 70.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.806 174.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' HG22 ' A' ' 56' ' ' VAL . 29.5 mtpp -111.61 -19.68 12.42 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.094 0.473 . . . . 0.0 110.404 177.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.685 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 41.0 ttm180 -57.37 -41.13 79.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.956 -168.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.67 -35.67 18.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.211 0.529 . . . . 0.0 110.719 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.06 -42.93 72.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.121 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 52' ' ' LYS . 23.9 m -67.83 -35.88 73.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.4 p -74.39 -35.34 39.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.936 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.71 -43.09 80.89 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.206 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -65.71 -39.52 91.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -57.8 -55.5 34.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.406 0.622 . . . . 0.0 110.287 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.626 ' OG1' ' HE3' ' B' ' 65' ' ' LYS . 23.0 p -66.55 -40.75 89.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.618 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -59.22 -44.62 92.29 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.777 0.322 . . . . 0.0 110.771 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 66' ' ' GLN . . . -63.5 -42.1 98.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.001 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -55.1 -51.96 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.734 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.15 -48.52 76.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.549 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -76.12 -19.71 58.27 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -174.679 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.0 m -87.81 -21.97 24.77 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.221 0.534 . . . . 0.0 110.797 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -93.34 -48.79 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.436 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.663 0.268 . . . . 0.0 110.76 -178.726 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.483 ' O ' HG23 ' B' ' 12' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -62.15 -22.31 65.75 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.897 0.38 . . . . 0.0 110.655 -177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -62.08 -53.85 49.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.873 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.506 ' O ' HG13 ' B' ' 15' ' ' ILE . 66.8 ttt180 -71.88 -37.83 70.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.274 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 8' ' ' SER . 96.6 t -59.18 -53.0 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.717 0.294 . . . . 0.0 111.023 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -71.72 -26.88 62.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.119 0.485 . . . . 0.0 110.048 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.47 -49.19 78.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.462 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.9 mt -60.19 -45.95 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.558 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.514 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 73.4 mt -56.89 -45.19 83.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.367 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.96 -47.23 84.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.874 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -63.56 -34.77 78.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.08 0.467 . . . . 0.0 110.398 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.4 mt -67.11 -39.11 86.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.597 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 94.2 mt -65.03 -34.44 78.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.27 177.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.94 -39.58 92.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.488 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.71 -41.19 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.08 0.466 . . . . 0.0 110.669 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.34 -44.96 89.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.254 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p -76.73 -24.62 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.702 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -60.34 -38.83 85.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.861 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.48 ' HB2' HG13 ' B' ' 28' ' ' VAL . 70.8 mm-40 -94.63 -9.58 34.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.035 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 55.95 48.92 16.9 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.129 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.48 HG13 ' HB2' ' B' ' 26' ' ' GLU . 24.6 m -71.43 152.56 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.411 -177.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 19.1 p -82.46 160.33 62.28 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.83 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -53.48 -37.2 82.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.361 2.041 . . . . 0.0 111.934 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.59 -50.23 65.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.343 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.34 -38.83 92.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.771 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.26 -57.01 13.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.77 -39.09 93.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.019 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 57.2 ttp -64.39 -41.49 96.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.22 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -70.58 -41.82 71.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.592 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 41' ' ' VAL . 94.0 mt -61.87 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.752 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.28 -42.67 95.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.427 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -65.72 -39.91 91.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.615 0.245 . . . . 0.0 110.944 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.408 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -62.42 -48.09 81.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 37' ' ' LEU . 78.6 t -57.9 -47.99 85.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.676 178.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.1 m -57.95 -40.52 80.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.258 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 29.2 t-20 -66.83 -33.76 76.32 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.855 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.408 HG12 ' O ' ' B' ' 40' ' ' ALA . 46.2 mm -70.33 -45.88 73.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 0.0 110.327 177.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.521 HG22 ' HG3' ' B' ' 53' ' ' ARG . 63.7 mt -66.69 -26.04 36.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.7 -13.41 61.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.401 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 70.9 mt-30 -89.34 -5.91 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.362 0.601 . . . . 0.0 110.012 177.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 22.6 t -100.45 125.75 38.2 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.296 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -51.9 143.99 37.57 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.822 2.348 . . . . 0.0 112.283 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.574 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 40.8 mt-10 -55.94 -26.12 46.44 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -175.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.413 ' HB3' ' HD2' ' B' ' 52' ' ' LYS . 47.0 t -50.03 -34.41 21.27 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.538 0.524 . . . . 0.0 111.431 177.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -132.12 15.97 4.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.087 0.47 . . . . 0.0 110.523 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.574 ' HB3' ' HA ' ' B' ' 50' ' ' GLU . 43.5 ttm180 -74.62 -36.5 62.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.621 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.62 -38.85 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.138 0.494 . . . . 0.0 109.81 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.32 82.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.28 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 31.0 m -68.05 -39.9 82.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 p -71.32 -37.87 67.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.002 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.21 -46.85 75.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.63 -42.07 82.62 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.742 177.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.17 -51.51 69.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.518 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.406 HG22 HG22 ' A' ' 61' ' ' THR . 34.5 p -67.18 -34.58 77.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.723 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -64.44 -45.32 87.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.76 91.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 28.0 mt -55.38 -57.61 11.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.292 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.626 ' HE3' ' OG1' ' A' ' 61' ' ' THR . 88.0 mttt -59.97 -34.32 73.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.862 -175.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -70.99 -51.56 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.187 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 12.8 t -61.48 -38.77 88.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -175.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.266 179.329 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -62.39 -28.61 69.9 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.69 0.281 . . . . 0.0 111.194 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.13 -39.6 86.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.334 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.483 ' O ' HG13 ' A' ' 15' ' ' ILE . 61.5 ttt180 -72.75 -37.02 67.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.169 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 16' ' ' ILE . 58.8 t -55.24 -50.25 66.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.557 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 16' ' ' ILE . 31.6 tt0 -70.54 -29.92 66.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.688 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.18 -45.89 89.85 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.29 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 11' ' ' ARG . 62.3 mt -63.83 -37.86 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.358 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 13' ' ' GLU . 71.0 mt -59.15 -47.89 88.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.029 0.442 . . . . 0.0 109.908 175.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -61.86 -44.09 97.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.528 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -45.51 77.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.586 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 90.1 mt -65.06 -42.63 94.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.865 178.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.7 mt -60.62 -42.08 96.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.695 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.42 -37.38 80.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.5 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.96 -37.23 83.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.02 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -79.17 -32.69 15.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.839 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -58.44 -40.79 83.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.169 0.509 . . . . 0.0 110.659 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 28' ' ' VAL . 13.7 mm-40 -86.29 -21.37 27.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.06 178.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 58.38 66.82 1.02 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.506 -173.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 26' ' ' GLU . 23.8 m -92.24 166.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.746 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -89.65 161.73 38.29 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.473 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 51.8 Cg_exo -55.28 -44.28 50.49 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.277 1.985 . . . . 0.0 111.691 177.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.88 -46.25 90.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.668 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.605 HD11 HG22 ' B' ' 12' ' ' VAL . 63.0 tp -65.44 -42.05 92.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.761 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.28 -48.45 78.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.9 mt -59.65 -45.88 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.18 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.5 ttp -61.05 -41.24 96.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.9 m -69.21 -48.7 61.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.85 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.9 mt -58.58 -42.67 88.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.756 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.82 -47.93 82.21 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.278 -0.487 . . . . 0.0 112.745 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -69.69 -32.76 71.54 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.888 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.8 85.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.896 0.379 . . . . 0.0 110.264 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 37' ' ' LEU . 88.6 t -59.9 -46.68 93.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.255 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.51 HG23 HG22 ' B' ' 68' ' ' VAL . 43.2 m -60.45 -26.92 67.12 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.32 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -73.45 -45.07 56.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.506 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -65.78 -41.06 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.039 0.447 . . . . 0.0 110.825 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.608 HG22 ' HG3' ' A' ' 53' ' ' ARG . 58.9 mt -71.08 -17.04 19.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.916 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.42 -6.66 59.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 110.983 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -87.11 -10.3 53.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.1 m -105.7 155.3 38.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.681 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.11 140.03 80.45 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.895 2.397 . . . . 0.0 111.481 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.683 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 4.3 pt-20 -64.67 -17.16 63.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -174.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.5 t -58.51 -42.78 88.46 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.931 0.396 . . . . 0.0 110.332 172.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' O ' HG23 ' A' ' 56' ' ' VAL . 57.3 mttm -92.91 -26.96 17.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.322 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.683 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 32.0 ttm180 -51.46 -48.52 62.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.928 -174.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.43 -44.5 94.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.63 -43.5 93.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.178 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 52' ' ' LYS . 94.5 t -63.92 -47.28 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.444 -178.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.47 -37.36 79.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.429 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.524 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 37.5 t70 -70.43 -41.26 73.1 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.887 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -64.13 -35.86 82.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.901 0.381 . . . . 0.0 110.196 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.68 -54.58 44.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.819 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.948 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 44.8 p -63.35 -36.63 84.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.55 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -62.53 -48.0 81.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.749 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.67 -30.62 70.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.028 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 68' ' ' VAL . 10.5 mt -57.47 -59.07 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.243 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.569 ' HG2' HG22 ' B' ' 57' ' ' VAL . 8.9 mtmp? -62.11 -35.52 78.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.982 0.42 . . . . 0.0 110.571 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.91 -48.43 74.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.449 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.1 p -69.72 -23.73 63.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -175.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 64' ' ' LEU . 72.6 t -72.81 -46.3 53.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.792 0.329 . . . . 0.0 110.427 176.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.773 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' B' ' 11' ' ' ARG . 43.7 t . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.47 -44.15 95.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.107 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.7 -31.26 72.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.037 0.446 . . . . 0.0 110.593 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.551 ' O ' HG13 ' B' ' 15' ' ' ILE . 46.8 ttt85 -67.78 -44.83 76.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.183 177.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.605 HG22 HD11 ' A' ' 32' ' ' LEU . 98.4 t -62.64 -42.11 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.141 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.77 -41.68 82.52 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.075 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -64.49 -45.16 88.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.138 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.551 HG13 ' O ' ' B' ' 11' ' ' ARG . 69.6 mt -58.68 -41.87 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.694 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.496 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 67.5 mt -61.81 -40.6 87.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.011 0.434 . . . . 0.0 110.187 176.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -66.29 -38.57 88.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.665 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' B' ' 21' ' ' ASP . 0.8 OUTLIER -60.91 -42.09 97.42 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.039 0.447 . . . . 0.0 110.896 176.419 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 77.0 mt -63.97 -42.99 97.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.189 177.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 98.5 mt -63.84 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.716 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.498 ' HA ' HG12 ' B' ' 24' ' ' VAL . 17.8 t70 -60.25 -48.4 81.92 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.223 175.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 1.063 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 57.9 t -54.79 -43.1 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.427 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.69 -38.63 77.06 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.58 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' B' ' 21' ' ' ASP . 11.1 p -83.14 -32.4 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 1.063 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 55.0 pttt -72.34 -24.05 61.24 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.78 178.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -88.76 -25.48 22.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.162 174.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 60.87 53.19 3.91 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.506 0.67 . . . . 0.0 110.188 -175.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.45 HG11 HD13 ' A' ' 15' ' ' ILE . 32.7 m -84.73 159.59 3.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.297 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 34.2 p -84.97 156.68 60.62 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.879 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.434 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 10.2 Cg_endo -52.77 -40.12 75.27 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.856 2.371 . . . . 0.0 112.382 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.04 -45.29 89.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.753 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -66.82 -45.14 79.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.489 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -54.96 -52.07 64.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.026 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.486 HD22 HG13 ' A' ' 41' ' ' VAL . 98.6 mt -61.16 -42.2 98.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.218 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.1 ttp -63.14 -41.1 99.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.01 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.411 ' SG ' ' HB ' ' A' ' 15' ' ' ILE . 93.8 m -72.15 -41.62 66.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.017 177.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.536 ' O ' HG23 ' B' ' 41' ' ' VAL . 90.8 mt -58.17 -47.64 82.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.574 177.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -46.94 93.19 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.603 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -65.07 -28.69 69.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.574 0.226 . . . . 0.0 111.48 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.77 -44.04 70.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 110.085 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 37' ' ' LEU . 79.0 t -58.57 -46.09 90.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.635 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -52.91 -41.81 64.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.766 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -69.89 -38.12 76.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.614 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.4 mm -66.41 -44.81 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.605 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.535 HD13 ' HB ' ' B' ' 57' ' ' VAL . 69.4 mt -64.92 -28.03 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.64 -12.18 60.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.288 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -100.7 -4.55 28.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.27 0.557 . . . . 0.0 109.903 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -86.5 138.83 33.7 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.702 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -41.1 128.93 3.03 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.557 2.838 . . . . 0.0 112.85 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.564 ' HA ' ' HB2' ' B' ' 53' ' ' ARG . 31.8 tt0 -62.41 -27.31 69.0 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -170.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.9 t -61.01 -30.21 70.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.663 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.444 ' O ' HG13 ' B' ' 56' ' ' VAL . 16.9 ptpt -114.85 5.63 15.21 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.907 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.564 ' HB2' ' HA ' ' B' ' 50' ' ' GLU . 42.9 ttm180 -65.82 -42.71 90.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.673 0.273 . . . . 0.0 111.42 -174.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.6 -31.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.6 0.714 . . . . 0.0 109.371 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -45.58 66.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.662 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.444 HG13 ' O ' ' B' ' 52' ' ' LYS . 28.5 m -65.87 -34.08 67.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.569 HG22 ' HG2' ' A' ' 65' ' ' LYS . 8.2 p -73.76 -38.13 50.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.434 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.494 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 20.9 t70 -67.81 -46.23 72.49 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -67.04 -29.86 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.829 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.447 ' HE1' ' O ' ' A' ' 34' ' ' LEU . 65.6 t80 -62.83 -51.75 65.82 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 173.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.948 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 61.4 p -65.86 -34.28 77.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -58.28 -56.14 25.9 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.09 171.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.84 83.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.351 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.415 ' O ' HG23 ' B' ' 68' ' ' VAL . 15.5 mt -53.67 -62.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.374 0.421 . . . . 0.0 111.273 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.524 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 56.5 mtmt -63.08 -30.05 71.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -71.56 -44.76 63.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.502 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -72.33 -36.82 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.51 HG22 HG23 ' A' ' 42' ' ' THR . 79.2 t . . . . . 0 C--O 1.233 0.187 0 CA-C-N 116.715 -0.221 . . . . 0.0 111.448 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -59.3 -32.45 70.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.181 -174.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.86 -45.83 91.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.707 0.289 . . . . 0.0 110.378 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 15' ' ' ILE . 20.8 ttt180 -67.65 -42.23 82.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.571 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 16' ' ' ILE . 86.2 t -58.36 -50.18 79.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.66 -25.07 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.979 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -62.26 -50.27 72.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.026 0.441 . . . . 0.0 110.022 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 11' ' ' ARG . 57.4 mt -61.84 -44.23 98.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.328 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 12' ' ' VAL . 79.6 mt -57.91 -48.04 84.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.798 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -65.25 -38.33 90.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.297 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -66.84 -37.15 83.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.006 0.432 . . . . 0.0 110.161 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.507 HD13 HD23 ' B' ' 37' ' ' LEU . 84.8 mt -66.54 -46.97 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.385 175.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.62 -33.81 75.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.568 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 8.9 t70 -62.85 -41.7 99.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.012 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.12 -43.65 93.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.774 0.321 . . . . 0.0 110.232 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.13 -46.68 89.57 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.66 -35.97 63.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 110.597 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 33.1 ttmt -58.96 -38.4 79.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.855 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HB2' HG13 ' A' ' 28' ' ' VAL . 45.9 mm-40 -93.31 -6.82 46.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.109 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 55.21 48.79 18.65 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.13 0.49 . . . . 0.0 110.87 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.439 HG13 ' HB2' ' A' ' 26' ' ' GLU . 25.9 m -73.73 152.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.514 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 p -81.72 157.74 69.08 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.5 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.581 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 10.1 Cg_endo -53.66 -42.01 69.41 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.317 2.011 . . . . 0.0 111.105 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -57.5 -51.75 68.17 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.633 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.521 HD11 HG22 ' B' ' 12' ' ' VAL . 57.3 tp -65.72 -42.62 90.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.855 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.55 96.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.182 -178.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.9 mt -62.25 -41.19 98.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.703 0.287 . . . . 0.0 110.676 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.456 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 43.5 ttp -67.56 -28.99 68.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.101 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.497 ' HA ' HG12 ' B' ' 16' ' ' ILE . 65.8 m -82.43 -50.21 9.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.795 0.331 . . . . 0.0 110.782 178.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.2 mt -61.0 -49.71 76.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -178.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.61 -35.91 91.85 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.358 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 35' ' ' MET . 15.7 t-20 -66.39 -40.26 89.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.218 0.532 . . . . 0.0 109.797 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.66 82.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.706 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.587 HG22 HD13 ' B' ' 37' ' ' LEU . 60.5 t -59.33 -42.32 87.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.451 178.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -56.25 -43.93 79.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.188 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 44.1 t30 -60.18 -43.42 95.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.683 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -65.48 -48.45 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.29 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.526 HG21 ' HB ' ' A' ' 57' ' ' VAL . 47.0 mt -71.32 -28.18 31.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.801 0.334 . . . . 0.0 111.192 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.24 -15.67 63.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 69.2 mt-30 -91.71 -1.28 57.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.042 0.448 . . . . 0.0 110.631 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.542 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 45.4 t -90.35 137.89 27.35 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.269 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.99 145.21 94.21 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 122.152 1.901 . . . . 0.0 111.983 174.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.464 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 3.3 tp10 -55.86 -26.34 46.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.169 -173.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -53.13 -30.96 39.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.736 0.303 . . . . 0.0 111.815 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -135.48 -0.06 2.7 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.362 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.542 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 44.9 ttp180 -68.21 -52.56 32.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.055 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 58.3 t -61.6 -31.67 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.179 0.514 . . . . 0.0 110.024 176.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.18 -53.53 29.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.601 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.09 -36.72 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.526 ' HB ' HG21 ' A' ' 45' ' ' ILE . 11.4 p -72.41 -26.94 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.513 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 4.2 t70 -74.59 -46.23 39.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.063 0.459 . . . . 0.0 109.891 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -62.73 -40.21 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.33 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -56.24 -52.36 64.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.533 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.494 HG22 HG22 ' B' ' 61' ' ' THR . 10.8 p -69.01 -37.13 78.51 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.413 -176.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -61.92 -50.19 73.14 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.918 0.389 . . . . 0.0 110.545 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.27 80.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.185 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.6 mt -58.39 -55.89 29.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -57.81 -41.24 81.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.191 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -68.25 -45.51 73.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.259 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.0 t -67.74 -36.72 81.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.833 -0.167 . . . . 0.0 111.003 -176.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.93 -49.99 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.703 0.287 . . . . 0.0 111.333 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.464 -177.387 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.421 ' O ' HG23 ' B' ' 12' ' ' VAL . 21.3 m . . . . . 0 C--O 1.234 0.274 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -52.69 -49.16 65.86 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.515 0.509 . . . . 0.0 112.037 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.57 -50.13 68.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.535 ' O ' HG13 ' B' ' 15' ' ' ILE . 35.8 ttt85 -64.97 -50.63 65.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.965 -177.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.521 HG22 HD11 ' A' ' 32' ' ' LEU . 89.7 t -60.19 -50.26 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.337 -177.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.21 -24.22 61.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.981 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -75.77 -33.3 60.19 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.786 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.549 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 87.0 mt -60.92 -47.31 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.497 HG12 ' HA ' ' A' ' 36' ' ' CYS . 55.8 mt -59.6 -44.9 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.385 175.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -58.49 -52.93 63.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.934 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.424 ' O ' HG23 ' B' ' 22' ' ' VAL . 24.9 t70 -60.85 -36.11 78.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.579 0.228 . . . . 0.0 111.33 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 96.0 mt -62.04 -44.14 97.32 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 110.148 174.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.452 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.38 -28.99 69.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.994 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 84.9 t -69.77 -39.45 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.4 0.619 . . . . 0.0 109.785 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.17 -37.58 85.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.8 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 84.5 t -78.38 -30.01 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.075 0.464 . . . . 0.0 110.747 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 72.2 tttt -52.35 -46.52 66.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.666 175.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -95.32 -8.72 35.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.247 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 46.6 65.28 1.25 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.646 0.736 . . . . 0.0 110.326 -170.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 33.2 m -69.32 153.19 8.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.673 -1.149 . . . . 0.0 112.444 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.652 HG22 ' HD2' ' B' ' 30' ' ' PRO . 0.2 OUTLIER -89.3 146.61 36.44 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 114.288 -1.324 . . . . 0.0 109.119 177.468 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.652 ' HD2' HG22 ' B' ' 29' ' ' THR . 48.2 Cg_exo -40.03 -51.36 3.15 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.376 2.718 . . . . 0.0 114.574 -178.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.84 -35.48 77.0 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.936 0.398 . . . . 0.0 110.76 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.41 -44.99 77.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.373 176.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.08 -52.77 64.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.114 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.03 -31.11 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.98 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 36.7 ttp -69.49 -49.51 54.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.733 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.71 -47.5 72.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.236 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.587 HD13 HG22 ' A' ' 41' ' ' VAL . 88.1 mt -61.42 -42.71 99.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.12 -42.73 97.23 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.663 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -72.12 -34.31 68.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.655 0.264 . . . . 0.0 110.777 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.13 84.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 37' ' ' LEU . 60.4 t -59.89 -51.94 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.665 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 56.9 m -55.96 -35.79 67.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.527 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.39 -39.78 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.787 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.7 tt -83.96 -22.05 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.892 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.426 HG13 ' O ' ' B' ' 41' ' ' VAL . 61.2 mt -72.65 -27.71 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.213 0.53 . . . . 0.0 109.935 175.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.39 -18.14 64.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.75 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -81.94 -10.64 59.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.296 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.2 t -92.98 130.99 34.38 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.926 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 146.92 26.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.872 2.381 . . . . 0.0 112.439 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -58.45 -25.56 62.37 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.971 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.4 m -52.4 -41.76 63.46 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.402 0.438 . . . . 0.0 111.787 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -123.26 7.69 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.674 0.273 . . . . 0.0 111.397 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -65.66 -36.38 83.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.88 0.371 . . . . 0.0 110.473 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.82 -32.9 42.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.207 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.4 -47.18 62.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.251 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 m -64.91 -38.62 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 8.6 p -73.51 -33.54 39.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.794 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -66.67 -50.44 62.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.933 0.397 . . . . 0.0 109.972 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -62.91 -32.65 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.426 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.53 -55.87 28.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.765 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.528 ' O ' ' HB2' ' B' ' 65' ' ' LYS . 22.9 p -64.47 -33.65 76.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.377 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -66.53 -56.51 10.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.051 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.84 91.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.667 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.403 ' O ' HG23 ' B' ' 68' ' ' VAL . 6.2 tt -64.39 -45.46 87.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.92 0.39 . . . . 0.0 110.032 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' B' ' 61' ' ' THR . 1.7 tttm -59.59 -45.97 90.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.378 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.88 -39.29 90.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.347 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 6.3 t -70.31 -35.89 73.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.018 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 64' ' ' LEU . 78.2 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.647 0.261 . . . . 0.0 110.367 176.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.5 p . . . . . 0 C--O 1.237 0.444 0 CA-C-O 120.616 0.246 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -62.73 -31.92 72.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.609 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -61.25 -45.24 95.33 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.872 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.619 ' O ' HG13 ' A' ' 15' ' ' ILE . 50.9 ttt85 -61.98 -46.09 90.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.856 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -55.28 -49.62 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.095 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -61.43 -38.6 87.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.212 0.53 . . . . 0.0 110.98 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HA ' ' HB3' ' A' ' 17' ' ' GLN . 42.5 mttp -81.48 -19.78 41.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.88 -175.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 11' ' ' ARG . 93.4 mt -66.77 -47.57 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 169.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.461 HG23 ' HB2' ' B' ' 40' ' ' ALA . 64.1 mt -61.15 -45.7 98.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.096 176.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.546 ' HB3' ' HA ' ' A' ' 14' ' ' LYS . 42.7 tp60 -59.77 -47.22 86.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.361 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -60.21 -43.41 96.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 109.951 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.73 -48.08 82.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.654 176.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.71 -37.39 86.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.195 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.63 -40.62 97.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.345 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.27 -45.57 95.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.15 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.478 HD11 HD21 ' A' ' 37' ' ' LEU . 97.5 mt -60.3 -42.43 95.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.279 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -75.52 -32.77 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -56.94 -43.24 81.29 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 174.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.49 ' HG3' HG12 ' B' ' 15' ' ' ILE . 66.5 mm-40 -82.02 -12.76 58.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.073 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 55.82 50.28 14.4 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.099 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.495 ' HA ' HD23 ' A' ' 32' ' ' LEU . 33.0 m -64.68 142.39 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.984 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 p -79.21 162.09 65.44 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.571 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 83.4 Cg_exo -48.82 -45.24 29.08 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.653 2.235 . . . . 0.0 112.584 178.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -72.96 -37.91 66.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.154 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 28' ' ' VAL . 60.1 tp -65.36 -38.74 90.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.867 0.365 . . . . 0.0 110.045 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.48 85.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.574 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 87.9 mt -58.78 -49.2 78.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.037 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttp -62.46 -39.04 92.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.467 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.462 ' HA ' HG12 ' B' ' 16' ' ' ILE . 61.1 m -76.08 -50.03 15.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.112 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.602 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.7 mt -65.47 -47.28 76.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.206 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.91 -34.09 81.48 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.37 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -68.3 -44.56 75.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.09 77.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.843 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 37' ' ' LEU . 82.3 t -61.79 -47.92 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.399 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.3 t -74.94 -19.24 60.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -173.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -74.03 -34.51 64.14 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 174.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.37 -38.45 69.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.246 0.546 . . . . 0.0 109.955 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.479 HD13 ' HB ' ' A' ' 57' ' ' VAL . 83.3 mt -62.22 -30.97 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.645 177.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.33 -5.49 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.462 . . . . 0.0 111.371 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.57 -24.28 18.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.148 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.538 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 27.5 m -91.56 162.51 31.38 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.475 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 48' ' ' VAL . 27.6 Cg_endo -62.79 148.08 93.87 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.583 2.189 . . . . 0.0 112.133 175.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.567 ' OE1' ' HD2' ' A' ' 53' ' ' ARG . 2.4 mm-40 -59.84 -23.77 63.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.025 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.0 t -48.72 -39.56 25.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.32 176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -118.91 3.92 11.5 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.567 ' HD2' ' OE1' ' A' ' 50' ' ' GLU . 96.3 mtt180 -60.45 -49.77 76.26 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.597 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.62 -28.57 40.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.146 0.498 . . . . 0.0 110.424 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.33 -48.25 43.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.1 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.694 ' HB ' HD11 ' B' ' 34' ' ' LEU . 28.7 m -64.14 -35.51 74.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.479 ' HB ' HD13 ' A' ' 45' ' ' ILE . 9.4 p -73.74 -36.77 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.771 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' HA ' ' HE2' ' B' ' 65' ' ' LYS . 17.9 t70 -68.8 -39.07 80.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.089 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -72.37 -32.46 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -61.09 -53.65 54.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.337 0.589 . . . . 0.0 109.717 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.3 p -65.25 -37.73 88.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -58.14 -49.61 76.37 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.519 175.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.92 71.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.386 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.51 -61.21 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.056 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -64.2 -32.16 73.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.496 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -60.7 -38.62 85.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.163 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.1 m -88.19 -40.97 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.187 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.23 -48.89 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.313 . . . . 0.0 111.264 -175.872 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 120.686 0.279 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.37 -46.23 86.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.405 -176.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -60.23 -44.84 94.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.959 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.543 ' O ' HG13 ' B' ' 15' ' ' ILE . 55.3 ttt180 -63.88 -49.89 70.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.08 -46.73 95.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.77 -40.33 92.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.584 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -63.12 -43.8 97.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.056 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.543 HG13 ' O ' ' B' ' 11' ' ' ARG . 88.6 mt -57.74 -47.89 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.332 . . . . 0.0 110.489 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.462 HG12 ' HA ' ' A' ' 36' ' ' CYS . 63.2 mt -62.55 -46.66 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -64.92 -41.86 95.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.953 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.469 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -58.47 -43.4 88.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.412 178.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 91.6 mt -63.81 -42.97 97.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.645 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.15 -39.01 88.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -68.03 -36.5 80.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 18' ' ' ASP . 76.8 t -61.07 -42.77 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.099 0.476 . . . . 0.0 110.358 174.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 19' ' ' LEU . 91.3 mt -59.93 -42.76 94.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.709 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.0 t -68.48 -40.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.174 0.511 . . . . 0.0 110.234 176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -54.96 -43.43 73.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.422 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.513 ' HG3' HG12 ' A' ' 15' ' ' ILE . 12.0 mm-40 -86.28 -6.0 59.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.203 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 57.32 39.85 28.12 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.607 0.567 . . . . 0.0 111.123 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.558 HG12 HD13 ' A' ' 15' ' ' ILE . 32.1 m -62.75 131.68 28.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.087 0.47 . . . . 0.0 111.234 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.4 p -74.0 150.9 88.29 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.535 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 84.0 Cg_exo -46.52 -51.66 8.56 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.951 2.434 . . . . 0.0 113.322 -177.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.64 -38.46 91.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' B' ' 28' ' ' VAL . 44.1 tp -63.06 -44.5 95.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.462 175.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.96 78.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.614 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.694 HD11 ' HB ' ' A' ' 56' ' ' VAL . 84.3 mt -60.71 -44.76 96.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.444 177.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.45 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 50.4 ttp -64.55 -44.66 90.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 71.4 m -67.89 -52.51 35.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.305 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.584 ' O ' HG23 ' B' ' 41' ' ' VAL . 99.2 mt -63.1 -48.19 79.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.868 -178.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.21 97.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.488 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' B' ' 35' ' ' MET . 22.4 t-20 -66.6 -41.32 88.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.461 ' HB2' HG23 ' A' ' 16' ' ' ILE . . . -60.53 -47.37 86.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.569 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 37' ' ' LEU . 59.2 t -59.71 -43.3 91.15 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 CA-C-O 120.987 0.422 . . . . 0.0 110.398 177.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -58.12 -40.87 82.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.684 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -72.88 -12.98 61.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.921 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 40' ' ' ALA . 71.2 mt -94.9 -43.24 12.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.383 177.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.493 HG22 ' HG3' ' B' ' 53' ' ' ARG . 57.6 mt -69.11 -23.55 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.325 0.584 . . . . 0.0 110.711 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.56 -12.96 61.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.14 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -81.91 -35.94 28.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.01 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.487 HG22 ' O ' ' B' ' 45' ' ' ILE . 33.2 m -74.52 150.46 86.91 Favored Pre-proline 0 C--O 1.235 0.32 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.42 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.34 151.77 65.58 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.905 2.403 . . . . 0.0 112.024 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.457 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 24.1 mt-10 -66.96 -9.17 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.524 -175.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -70.32 -28.6 65.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.851 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.407 ' O ' HG23 ' B' ' 56' ' ' VAL . 18.8 ptpt -122.5 -4.21 8.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.289 . . . . 0.0 111.128 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.493 ' HG3' HG22 ' B' ' 45' ' ' ILE . 43.4 ttm180 -60.99 -40.13 92.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.473 -174.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.6 -39.59 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.059 0.457 . . . . 0.0 110.332 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.96 78.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.031 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.419 HG13 HD11 ' A' ' 34' ' ' LEU . 59.8 t -59.83 -50.01 81.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.708 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.17 -34.9 71.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.772 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.58 -44.83 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.666 0.269 . . . . 0.0 110.578 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -57.43 -42.32 82.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.125 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.16 -50.79 68.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.45 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -63.55 -39.43 94.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.745 -178.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -64.44 -46.73 81.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.334 . . . . 0.0 110.615 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.48 77.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.074 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 68' ' ' VAL . 58.9 mt -61.78 -57.29 12.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.428 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.425 ' HE2' ' HA ' ' A' ' 58' ' ' ASP . 93.4 mttt -61.27 -41.95 97.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.613 0.244 . . . . 0.0 111.074 -176.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -60.75 -36.08 78.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.104 0.478 . . . . 0.0 110.598 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 30.8 t -76.99 -25.48 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.259 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 64' ' ' LEU . 95.4 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 120.747 0.308 . . . . 0.0 110.715 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -53.63 -34.48 58.72 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.379 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -59.85 -55.23 36.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.572 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 15' ' ' ILE . 78.5 ttt180 -58.61 -46.11 87.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.882 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 16' ' ' ILE . 92.6 t -55.03 -53.1 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.486 -178.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -79.17 -16.09 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.765 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -64.77 -48.22 75.3 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 171.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 11' ' ' ARG . 61.8 mt -59.49 -48.99 85.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.225 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.432 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 69.1 mt -55.75 -49.79 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.977 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -64.61 -40.86 96.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.78 -37.47 86.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.015 0.436 . . . . 0.0 110.334 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.48 -45.96 81.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.689 174.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 93.9 mt -61.7 -34.3 75.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.891 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.436 ' HA ' HG12 ' A' ' 24' ' ' VAL . 23.3 t70 -64.53 -43.31 94.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.201 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.1 t -59.31 -42.89 88.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.045 0.45 . . . . 0.0 110.047 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.404 HD12 HD23 ' A' ' 20' ' ' LEU . 96.7 mt -62.45 -44.99 95.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.631 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' A' ' 21' ' ' ASP . 11.3 p -75.37 -31.06 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.606 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -65.25 -39.82 93.18 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.753 175.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -77.5 -10.77 59.67 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.654 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 60.31 42.85 14.38 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.3 m -75.12 134.8 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-O 122.053 0.93 . . . . 0.0 111.81 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.592 HG22 ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -76.31 143.15 72.51 Favored Pre-proline 0 N--CA 1.436 -1.149 0 CA-C-N 114.016 -1.447 . . . . 0.0 109.358 176.667 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.592 ' HD2' HG22 ' A' ' 29' ' ' THR . 53.5 Cg_exo -41.2 -48.7 4.97 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.44 2.76 . . . . 0.0 114.044 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.49 -49.79 76.15 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.386 0.612 . . . . 0.0 110.446 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.1 tp -59.78 -43.05 94.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.75 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.86 85.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.94 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 95.9 mt -60.47 -46.29 90.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 0.0 110.372 177.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.473 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 50.2 ttp -63.82 -36.12 82.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.003 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.5 m -75.26 -50.5 15.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.1 mt -62.46 -50.62 70.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.384 -177.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.02 -35.69 88.04 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.258 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.473 ' HB2' ' O ' ' A' ' 35' ' ' MET . 14.8 t-20 -67.94 -41.76 82.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.239 0.542 . . . . 0.0 109.763 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -64.13 -43.35 95.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.714 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.5 t -57.57 -41.7 79.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.307 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.486 HG23 HG22 ' B' ' 68' ' ' VAL . 89.3 m -55.29 -43.72 75.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.302 178.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -72.86 -31.22 64.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 40' ' ' ALA . 45.6 mm -69.41 -42.57 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 0.0 110.355 176.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.421 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 72.4 mt -67.01 -25.62 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.158 0.504 . . . . 0.0 110.116 177.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.86 -17.04 64.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.897 0.379 . . . . 0.0 110.967 178.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -89.55 -4.66 57.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.355 0.598 . . . . 0.0 110.169 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 t -92.39 137.02 24.83 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.89 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -64.0 144.73 88.53 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.185 1.923 . . . . 0.0 111.903 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -52.06 -32.61 35.36 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.181 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -54.86 -35.46 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.157 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -122.0 3.2 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 111.137 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 45' ' ' ILE . 18.5 ttp180 -68.41 -37.29 80.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.672 -174.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.86 -38.98 44.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.394 0.616 . . . . 0.0 110.216 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.56 97.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.501 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.8 m -68.03 -39.02 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -177.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -70.8 -32.04 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.306 -177.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.39 -49.23 44.06 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 110.415 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -63.0 -38.19 90.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -53.83 -53.59 50.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.427 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.568 HG22 HG22 ' B' ' 61' ' ' THR . 14.1 p -74.76 -41.84 59.34 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.954 -174.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -57.98 -49.41 76.92 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 120.996 0.427 . . . . 0.0 111.128 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.99 68.63 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.381 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.22 -53.11 61.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.503 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.481 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 43.5 mtpt -58.55 -44.66 89.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.974 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -59.78 -46.86 87.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.257 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.9 m -67.34 -40.93 85.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.388 -176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.55 -35.88 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.812 0.339 . . . . 0.0 110.94 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.383 -179.661 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.447 -0.594 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.428 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 27.0 p-10 -61.65 -25.44 67.37 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.46 -43.62 84.15 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.619 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.469 ' O ' HG13 ' B' ' 15' ' ' ILE . 54.6 ttt85 -78.89 -35.65 43.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 -177.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.417 ' O ' HG13 ' B' ' 16' ' ' ILE . 91.7 t -60.55 -50.64 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.461 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 9' ' ' ASN . 53.2 mm-40 -63.4 -34.08 76.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.897 0.379 . . . . 0.0 110.274 176.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -61.06 -53.68 54.16 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.192 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.469 HG13 ' O ' ' B' ' 11' ' ' ARG . 75.2 mt -58.24 -40.7 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.512 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 12' ' ' VAL . 74.9 mt -60.48 -43.41 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.114 175.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -64.08 -42.9 96.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.839 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.61 -42.61 93.02 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.477 HD13 HD23 ' A' ' 37' ' ' LEU . 96.9 mt -65.29 -47.25 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.773 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 91.0 mt -62.51 -35.32 79.03 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.492 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -58.1 -47.86 81.95 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.55 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.23 -45.4 93.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 O-C-N 123.216 0.323 . . . . 0.0 110.883 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.41 -39.88 92.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.439 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 91.0 t -75.63 -38.04 37.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.964 0.411 . . . . 0.0 110.63 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -57.96 -41.3 82.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.925 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -80.67 -16.95 52.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.576 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 50.39 67.06 0.98 Allowed 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.117 -170.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 32.3 m -85.31 155.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.627 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 23.6 p -84.18 159.43 59.49 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.406 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 75.7 Cg_exo -50.25 -50.34 13.76 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.719 2.279 . . . . 0.0 112.622 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.43 -43.69 93.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.78 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 tp -61.86 -44.07 97.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.644 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.57 81.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 90.9 mt -60.88 -42.67 98.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 57.8 ttp -62.0 -41.89 98.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 62.5 m -69.15 -47.66 64.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 41' ' ' VAL . 99.0 mt -60.37 -41.39 93.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.248 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.26 -44.38 93.36 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.64 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -69.97 -34.83 73.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.803 0.335 . . . . 0.0 110.733 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.16 92.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.509 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 37' ' ' LEU . 64.0 t -61.57 -37.44 77.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.324 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.5 m -57.34 -41.48 80.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.772 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.14 -39.44 82.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.887 0.375 . . . . 0.0 110.513 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.7 mm -61.61 -47.87 91.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.386 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 41' ' ' VAL . 36.8 mt -71.22 -20.04 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.152 0.501 . . . . 0.0 110.361 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.654 ' HA ' ' NH1' ' B' ' 53' ' ' ARG . . . -75.13 -10.44 59.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 176.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -88.81 -6.95 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.578 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' B' ' 52' ' ' LYS . 20.7 t -102.53 129.19 26.5 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.816 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.48 142.64 85.61 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.417 2.078 . . . . 0.0 112.01 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.516 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 6.1 mp0 -45.38 -31.37 1.63 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.344 0.658 . . . . 0.0 112.589 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 15.2 m -46.44 -41.08 13.32 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 123.637 0.586 . . . . 0.0 111.735 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.452 ' HG3' ' CG1' ' B' ' 48' ' ' VAL . 20.2 ptmt -125.93 3.26 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.881 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.654 ' NH1' ' HA ' ' B' ' 46' ' ' ALA . 21.5 ttm-85 -62.36 -47.01 86.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -176.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 37.5 t -65.87 -35.17 74.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.206 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.41 -51.13 60.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.04 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.75 -35.57 75.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 p -71.4 -31.37 43.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 120.92 0.391 . . . . 0.0 110.645 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.69 -45.71 35.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -60.85 -41.35 95.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.66 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -56.01 -54.92 39.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.374 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.568 HG22 HG22 ' A' ' 61' ' ' THR . 18.9 p -70.0 -34.1 72.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.364 -176.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.69 -58.7 7.42 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.03 0.443 . . . . 0.0 110.657 173.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.525 -177.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 tt -58.83 -49.45 77.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.941 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.492 ' HG3' HG21 ' A' ' 61' ' ' THR . 8.5 mtmp? -62.36 -43.0 99.84 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.522 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' B' ' 66' ' ' GLN . 15.0 mm-40 -75.21 -30.93 60.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 17.5 p -72.76 -46.58 52.69 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.669 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.486 HG22 HG23 ' A' ' 42' ' ' THR . 94.4 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.636 -0.257 . . . . 0.0 111.518 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 12' ' ' VAL . 22.3 p . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.12 -30.47 71.62 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.081 0.238 . . . . 0.0 110.778 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.23 -43.0 99.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.471 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.533 ' O ' HG13 ' A' ' 15' ' ' ILE . 79.9 ttt180 -70.0 -33.88 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.167 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 16' ' ' ILE . 61.1 t -61.63 -50.18 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.923 175.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.28 -39.71 70.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.836 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.24 -49.05 79.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.34 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 11' ' ' ARG . 56.1 mt -63.93 -43.3 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.365 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 12' ' ' VAL . 68.8 mt -60.93 -39.8 83.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.208 177.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.6 -41.86 92.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.751 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.09 -37.57 84.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.424 . . . . 0.0 110.283 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.7 -51.51 64.7 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.763 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 23' ' ' LEU . 91.9 mt -64.59 -27.49 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.828 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -46.97 85.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.923 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.3 t -60.24 -45.25 96.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.022 0.439 . . . . 0.0 110.723 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.542 HD12 HD23 ' A' ' 20' ' ' LEU . 97.7 mt -60.65 -42.03 96.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.65 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t -80.58 -32.34 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -54.33 -47.28 72.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.4 0.619 . . . . 0.0 110.138 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HB2' HG13 ' A' ' 28' ' ' VAL . 57.5 mm-40 -88.45 -5.43 58.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.142 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 37.55 58.43 1.33 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 124.309 1.006 . . . . 0.0 111.397 -174.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.3 m -73.41 162.25 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.748 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.2 p -86.81 159.77 51.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.294 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.38 -48.48 18.6 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.864 2.376 . . . . 0.0 112.538 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -56.51 -50.72 71.0 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.627 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.89 -46.36 88.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.872 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.74 -53.34 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.102 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.5 mt -60.83 -43.54 98.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.458 -176.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.4 ttp -64.65 -40.29 95.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.647 0.261 . . . . 0.0 111.086 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -68.69 -47.34 66.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.765 0.317 . . . . 0.0 110.671 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.0 mt -61.24 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.14 -43.73 93.32 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.847 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -69.12 -36.59 77.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.642 0.258 . . . . 0.0 110.754 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 -46.39 88.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.435 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 37' ' ' LEU . 60.0 t -60.74 -54.14 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.344 177.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.6 m -57.33 -39.23 75.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.708 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -66.74 -36.39 82.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.393 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.9 tt -84.73 -25.73 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.014 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' A' ' 53' ' ' ARG . 57.2 mt -65.55 -33.24 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.373 0.606 . . . . 0.0 109.95 174.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.29 -14.59 61.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.138 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -83.63 -15.67 48.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.417 0.627 . . . . 0.0 109.703 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.1 t -81.1 135.93 50.67 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.379 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -44.41 126.06 6.45 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.886 2.391 . . . . 0.0 112.194 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.524 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 41.9 tt0 -50.99 -34.63 29.91 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.069 -174.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -50.77 -32.52 20.06 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.996 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.02 6.74 9.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.935 0.398 . . . . 0.0 110.554 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.524 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 40.3 ttm180 -67.44 -40.51 85.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.192 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.81 -35.71 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.058 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.19 -51.63 62.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.5 m -63.87 -35.22 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -175.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -75.0 -33.03 28.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.585 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.27 -36.18 68.94 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.603 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -63.5 -46.3 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.419 ' CE2' HG11 ' A' ' 41' ' ' VAL . 52.6 t80 -58.33 -51.49 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.059 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.1 p -65.69 -41.44 92.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.837 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -60.71 -51.42 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.293 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.46 90.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.856 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 68' ' ' VAL . 9.5 mt -49.52 -66.47 0.39 Allowed 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.726 0.641 . . . . 0.0 112.029 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.581 ' HG2' HG22 ' B' ' 57' ' ' VAL . 50.8 mtmt -63.81 -29.03 70.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.497 -174.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -69.19 -39.84 78.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.704 0.288 . . . . 0.0 110.642 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 p -80.93 -10.24 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 111.406 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.542 HG21 HG21 ' B' ' 57' ' ' VAL . 53.4 t -85.93 -41.84 15.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.768 0.318 . . . . 0.0 110.647 176.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 97.9 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.461 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.79 -36.44 76.72 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -175.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.32 -35.98 70.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.755 0.312 . . . . 0.0 110.656 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.478 ' O ' HG13 ' B' ' 15' ' ' ILE . 9.8 ttt-85 -71.07 -41.86 70.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.928 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.3 -46.98 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.007 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -57.72 -40.2 79.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.695 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -64.68 -49.97 68.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.153 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.523 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 76.5 mt -60.11 -44.15 94.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -175.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.415 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 76.4 mt -59.91 -40.95 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.273 176.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -61.91 -46.88 87.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.653 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.447 ' O ' HG23 ' B' ' 22' ' ' VAL . 15.2 m-20 -64.24 -35.85 82.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.077 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.7 mt -64.01 -44.01 93.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 110.375 175.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 97.9 mt -65.21 -33.68 76.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.374 176.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.44 ' HA ' HG12 ' B' ' 24' ' ' VAL . 0.6 OUTLIER -62.06 -38.65 89.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.815 176.014 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.541 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 95.5 t -62.87 -41.4 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 0.0 110.541 177.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.472 HD22 HG21 ' B' ' 28' ' ' VAL . 84.5 mt -65.52 -35.36 80.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.92 -178.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' B' ' 21' ' ' ASP . 9.7 p -85.01 -19.0 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 120.917 0.389 . . . . 0.0 110.808 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.541 ' HD3' ' HA ' ' B' ' 22' ' ' VAL . 9.9 mtpm? -62.27 -35.87 80.32 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.192 0.52 . . . . 0.0 110.046 172.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.519 ' HG3' HG12 ' A' ' 15' ' ' ILE . 46.5 mm-40 -102.99 -14.52 16.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.66 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 55.2 49.05 18.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.415 0.626 . . . . 0.0 109.899 -173.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.472 HG21 HD22 ' B' ' 23' ' ' LEU . 34.0 m -61.23 148.3 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.161 -175.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 40.3 p -80.77 165.17 47.3 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.442 173.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.438 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 74.9 Cg_exo -50.44 -45.11 36.08 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.287 1.991 . . . . 0.0 111.61 174.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.09 -55.91 24.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.103 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 tp -58.53 -36.03 73.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.131 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.07 -51.69 62.85 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.895 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 85.8 mt -62.07 -42.83 99.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.161 -177.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 32.9 ttp -63.87 -31.83 73.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.546 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 67.8 m -85.0 -49.14 8.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.739 0.304 . . . . 0.0 111.0 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.2 mt -60.67 -54.31 46.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.411 -177.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.4 -33.31 84.16 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.592 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -64.78 -44.23 90.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.138 0.494 . . . . 0.0 109.846 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.05 -39.4 86.93 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.699 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 37' ' ' LEU . 89.9 t -59.5 -47.96 88.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.946 177.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.0 m -64.35 -32.7 74.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.726 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -64.88 -35.83 82.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.394 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.4 mm -76.04 -46.2 34.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.678 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.404 HG21 ' HB ' ' B' ' 57' ' ' VAL . 70.1 mt -61.42 -29.8 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.968 0.413 . . . . 0.0 111.289 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.66 -21.31 65.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.185 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -89.58 -8.63 52.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 0.0 110.392 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.417 HG12 ' HG3' ' B' ' 52' ' ' LYS . 47.8 t -83.64 133.64 46.28 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.371 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -41.91 129.7 4.17 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.29 2.66 . . . . 0.0 112.603 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -49.59 -39.83 36.74 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -170.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 56.2 m -57.75 -52.89 63.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 111.544 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.417 ' HG3' HG12 ' B' ' 48' ' ' VAL . 6.0 ptpp? -87.2 -9.93 53.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.062 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.99 -45.09 91.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.985 0.421 . . . . 0.0 110.655 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.8 t -67.21 -34.3 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.188 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.79 -48.53 45.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.503 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.6 m -65.73 -34.39 70.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -176.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.581 HG22 ' HG2' ' A' ' 65' ' ' LYS . 13.3 p -73.02 -35.07 47.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.524 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.53 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 32.6 t70 -67.33 -44.37 79.27 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -61.93 -36.97 82.95 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.319 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -61.14 -53.48 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.081 177.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 41.2 p -64.66 -35.06 79.8 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.129 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.2 -56.25 23.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.412 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.25 81.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.99 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.487 ' O ' HG23 ' B' ' 68' ' ' VAL . 13.6 mt -53.13 -63.04 1.28 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.408 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -65.6 -30.22 70.92 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.521 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.87 -48.89 77.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.821 0.343 . . . . 0.0 110.961 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.1 p -75.63 -26.96 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.66 -176.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 64' ' ' LEU . 59.2 t . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.709 0.29 . . . . 0.0 110.78 176.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.6 t . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.51 -49.97 74.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.99 -33.22 72.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.912 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.551 ' O ' HG13 ' A' ' 15' ' ' ILE . 60.1 ttt85 -67.1 -45.2 77.94 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 8' ' ' SER . 80.1 t -55.38 -45.63 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.014 0.435 . . . . 0.0 110.489 178.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.89 -40.74 85.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.942 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' A' ' 17' ' ' GLN . 55.9 mttp -79.32 -22.63 44.26 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 11' ' ' ARG . 81.8 mt -65.65 -46.4 89.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.49 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 67.6 mt -61.51 -42.69 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.894 175.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.508 ' HB3' ' HA ' ' A' ' 14' ' ' LYS . 54.3 tp60 -59.39 -48.65 80.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.138 177.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.91 -37.11 70.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.024 0.44 . . . . 0.0 110.555 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 97.7 mt -65.84 -42.57 90.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.609 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.5 mt -64.81 -37.7 88.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.746 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.91 -41.77 83.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.555 175.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.78 -44.41 93.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.095 0.474 . . . . 0.0 110.572 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 95.7 mt -61.59 -37.36 83.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.66 -178.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.79 -30.42 16.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.787 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -65.37 -38.66 90.72 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.992 0.425 . . . . 0.0 110.721 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.536 ' HA ' HH21 ' B' ' 11' ' ' ARG . 78.8 mm-40 -83.15 -14.94 52.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.153 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 56.78 48.84 15.39 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.234 0.54 . . . . 0.0 110.848 -177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.767 ' HA ' HD23 ' A' ' 32' ' ' LEU . 34.6 m -70.77 140.9 17.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.894 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.538 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 9.5 p -92.01 168.44 13.0 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.737 173.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 93.5 Cg_exo -45.26 -58.31 1.67 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.948 2.432 . . . . 0.0 113.462 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.69 -40.32 94.57 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 111.216 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.767 HD23 ' HA ' ' A' ' 28' ' ' VAL . 58.6 tp -65.17 -47.1 78.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.378 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.92 -49.46 77.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.139 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.04 -37.81 83.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.3 ttp -65.55 -45.75 82.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HA ' HG12 ' B' ' 16' ' ' ILE . 72.2 m -70.41 -45.46 65.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.181 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.557 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.8 mt -62.22 -44.06 97.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.697 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.59 -45.04 90.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.211 -0.519 . . . . 0.0 112.373 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -66.76 -36.29 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.998 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.62 84.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.683 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 37' ' ' LEU . 62.8 t -61.35 -40.92 87.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.595 178.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.2 m -55.32 -46.99 76.31 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 40.9 t30 -60.01 -43.22 95.38 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.719 0.295 . . . . 0.0 110.919 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -65.93 -47.84 83.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.092 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.534 HD13 ' HB ' ' A' ' 57' ' ' VAL . 58.6 mt -67.8 -30.16 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.823 0.344 . . . . 0.0 111.263 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.05 -23.71 67.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.969 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 72.7 mt-30 -82.03 -10.45 59.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.466 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 41.1 t -79.29 136.71 56.57 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.896 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.07 148.2 93.51 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.531 2.154 . . . . 0.0 112.78 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' CD ' HH21 ' A' ' 53' ' ' ARG . 3.4 tp10 -51.16 -33.06 25.35 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.573 -173.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -53.24 -43.3 67.21 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.774 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.57 2.74 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.808 -174.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 37.6 ttp180 -64.9 -34.42 78.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.821 -175.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.32 -30.48 8.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.381 0.61 . . . . 0.0 109.826 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -40.3 74.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.524 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.68 -40.4 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.534 ' HB ' HD13 ' A' ' 45' ' ' ILE . 7.3 p -70.06 -33.83 56.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.621 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -65.68 -47.53 75.14 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -61.77 -38.05 86.57 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.586 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.76 -51.31 70.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.175 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.574 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 51.7 p -65.64 -35.64 81.39 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.249 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -61.6 -50.28 73.22 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.339 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.28 90.49 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.469 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.19 -60.56 3.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.039 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -61.2 -37.21 82.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.105 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -59.78 -48.8 80.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.093 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 m -72.36 -26.91 62.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.439 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -77.68 -46.01 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.433 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 111.386 -177.348 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.412 ' HA ' ' HB ' ' B' ' 12' ' ' VAL . 48.7 m-80 -59.4 -26.74 65.39 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.279 0.362 . . . . 0.0 111.145 -173.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -55.7 -56.19 23.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.966 0.412 . . . . 0.0 110.142 173.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.551 ' O ' HG13 ' B' ' 15' ' ' ILE . 64.8 ttt180 -69.23 -35.09 75.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.592 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.438 ' O ' HG13 ' B' ' 16' ' ' ILE . 78.5 t -55.77 -45.02 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.878 0.371 . . . . 0.0 110.08 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -72.05 -32.6 67.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.613 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -55.58 -45.37 77.39 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.551 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.0 mt -60.2 -47.38 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.345 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.484 HG12 ' HA ' ' A' ' 36' ' ' CYS . 64.5 mt -57.95 -49.28 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 178.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -65.11 -35.88 82.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.968 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -67.22 -42.77 83.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 109.827 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 96.2 mt -62.74 -43.72 98.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.589 176.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.545 HD23 HD12 ' B' ' 23' ' ' LEU . 95.9 mt -64.82 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.253 0.549 . . . . 0.0 110.252 176.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 4.0 t70 -69.2 -36.76 77.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.831 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.555 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 99.5 t -67.16 -38.61 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.255 173.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.545 HD12 HD23 ' B' ' 20' ' ' LEU . 85.7 mt -62.85 -35.76 81.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.006 178.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.74 -22.45 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.483 177.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.555 ' HD3' ' HA ' ' B' ' 22' ' ' VAL . 9.5 mtpm? -55.67 -51.8 66.03 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.979 0.418 . . . . 0.0 110.459 172.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.52 ' HG3' HG12 ' A' ' 15' ' ' ILE . 14.3 mm-40 -89.22 -8.26 53.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.054 -175.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 53.42 68.57 0.82 Allowed 'General case' 0 N--CA 1.463 0.192 0 O-C-N 124.025 0.828 . . . . 0.0 110.923 -172.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.673 ' HA ' HD23 ' B' ' 32' ' ' LEU . 32.4 m -81.8 137.95 20.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.485 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 40.4 p -83.56 168.05 24.67 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 74.2 Cg_exo -49.01 -47.53 21.34 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.256 1.97 . . . . 0.0 112.358 177.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.27 -52.95 63.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.224 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' B' ' 28' ' ' VAL . 59.5 tp -62.0 -41.29 97.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.104 -178.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.7 -51.75 68.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.357 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.72 -39.1 90.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.717 0.294 . . . . 0.0 111.094 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 47.8 ttp -66.12 -32.79 74.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.162 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 69.3 m -82.98 -46.56 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.883 0.373 . . . . 0.0 110.771 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.616 ' O ' HG23 ' B' ' 41' ' ' VAL . 94.0 mt -63.72 -52.81 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.443 -177.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.33 -30.32 73.8 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.074 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' B' ' 35' ' ' MET . 23.0 t-20 -69.31 -46.64 66.64 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.431 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -62.8 -39.99 95.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.824 177.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.616 HG23 ' O ' ' B' ' 37' ' ' LEU . 98.0 t -57.63 -49.54 80.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.099 176.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 41.1 m -61.61 -37.63 84.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -63.89 -33.14 75.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.004 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.431 HG12 ' O ' ' B' ' 40' ' ' ALA . 46.9 mm -79.41 -45.34 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.689 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.515 HG22 ' HG3' ' B' ' 53' ' ' ARG . 58.9 mt -63.42 -28.3 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.206 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -13.06 61.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.462 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -93.03 -2.6 55.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.299 0.571 . . . . 0.0 110.158 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -97.49 134.34 22.67 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.758 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.31 136.35 19.4 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.082 2.521 . . . . 0.0 112.282 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.469 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 24.6 mt-10 -58.48 -35.46 72.23 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -169.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 43.3 m -61.36 -26.18 67.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.773 0.32 . . . . 0.0 111.604 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -116.94 -3.97 11.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.945 0.402 . . . . 0.0 110.644 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.515 ' HG3' HG22 ' B' ' 45' ' ' ILE . 42.4 ttm180 -63.79 -42.18 97.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.55 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.46 -31.9 55.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.396 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.58 -46.52 46.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.487 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.46 -36.38 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.413 ' HB ' HD13 ' B' ' 45' ' ' ILE . 8.7 p -71.14 -36.98 64.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.407 178.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.18 -46.75 73.02 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -55.39 -41.11 72.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.623 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -61.64 -51.17 69.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.261 177.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.574 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 56.0 p -64.24 -37.95 89.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.491 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.11 -44.81 75.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.258 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.81 87.99 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.471 ' O ' HG23 ' B' ' 68' ' ' VAL . 40.3 mt -56.68 -54.74 42.66 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.546 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -52.96 -49.04 66.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.999 0.428 . . . . 0.0 111.042 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -61.47 -50.89 70.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.117 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 34.1 p -67.38 -27.97 67.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 64' ' ' LEU . 77.2 t . . . . . 0 C--N 1.327 -0.398 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -62.99 -32.54 73.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.255 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -53.96 -42.54 69.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.096 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.508 ' O ' HG13 ' A' ' 15' ' ' ILE . 72.0 ttt180 -72.97 -40.27 65.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.446 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 16' ' ' ILE . 83.5 t -55.89 -51.16 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.609 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -60.31 -37.68 81.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -65.96 -48.43 71.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.378 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 11' ' ' ARG . 70.8 mt -60.79 -42.23 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.562 0.22 . . . . 0.0 111.046 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.442 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.4 mt -59.9 -46.33 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 110.151 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.31 -40.98 97.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.434 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -39.34 93.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.416 HD13 HD23 ' B' ' 37' ' ' LEU . 95.9 mt -66.41 -42.34 87.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.455 176.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 96.3 mt -63.11 -39.58 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.377 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -63.1 -31.26 72.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.0 -46.88 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.13 -37.14 84.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.3 t -75.38 -34.26 29.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.01 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 25' ' ' LYS . 2.2 tmmt? -63.25 -37.65 88.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.086 0.47 . . . . 0.0 110.029 177.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.509 ' HG3' HG12 ' B' ' 15' ' ' ILE . 70.3 mm-40 -79.29 -26.22 42.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.589 175.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 61.01 60.95 1.71 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.62 0.724 . . . . 0.0 109.607 -172.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.444 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.2 m -83.0 160.44 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.593 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.431 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 56.8 p -90.27 168.75 13.63 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 50.0 Cg_exo -54.05 -42.79 64.01 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.007 1.805 . . . . 0.0 111.2 172.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.76 -51.31 65.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.855 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.532 HD11 HG22 ' B' ' 12' ' ' VAL . 40.9 tp -63.44 -39.16 93.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.783 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.33 -53.11 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.948 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.98 -42.36 94.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.5 ttp -63.31 -42.06 98.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.963 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.6 m -70.52 -46.16 64.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.786 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.557 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.0 mt -61.29 -43.45 98.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.32 -45.2 94.54 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.461 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.427 ' HA ' HG22 ' A' ' 42' ' ' THR . 28.0 m-80 -67.78 -33.15 74.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.685 178.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.57 -42.76 91.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.68 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.0 t -65.24 -47.22 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 39' ' ' ASN . 11.9 t -65.79 -24.72 66.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.228 -176.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -76.89 -19.25 57.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.75 0.309 . . . . 0.0 110.975 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.4 mm -86.96 -43.09 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.239 0.542 . . . . 0.0 109.835 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.588 HG22 ' HG3' ' A' ' 53' ' ' ARG . 47.7 mt -69.72 -19.84 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.739 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.44 -9.49 58.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.739 0.304 . . . . 0.0 111.381 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -84.51 -13.99 50.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.383 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.51 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 27.6 m -100.47 159.95 28.29 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.674 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.51 ' HD2' ' HB ' ' A' ' 48' ' ' VAL . 13.8 Cg_endo -56.7 146.6 76.13 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.963 2.442 . . . . 0.0 112.027 177.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -53.96 -40.5 66.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.231 -173.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.4 m -57.38 -50.36 73.21 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.921 0.391 . . . . 0.0 111.257 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' ' 56' ' ' VAL . 99.2 mttt -74.79 -29.88 61.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.956 0.407 . . . . 0.0 110.349 178.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.588 ' HG3' HG22 ' A' ' 45' ' ' ILE . 39.5 ttm180 -52.59 -48.55 66.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.678 -176.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.68 -43.64 90.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.582 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.27 83.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.987 0.422 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 52' ' ' LYS . 70.0 t -65.66 -49.07 80.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.51 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.0 p -66.87 -34.6 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.152 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -35.77 81.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.178 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -73.52 -39.93 64.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.88 0.372 . . . . 0.0 110.608 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -63.46 -46.79 84.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.405 HG22 HG22 ' B' ' 61' ' ' THR . 20.4 p -64.46 -34.84 79.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.085 -178.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -63.39 -48.37 78.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.325 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.88 75.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.196 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 68' ' ' VAL . 32.4 mt -61.79 -55.43 30.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.296 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -62.53 -36.68 83.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.795 0.331 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -60.6 -47.11 87.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.114 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 p -74.02 -32.62 63.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.558 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 64' ' ' LEU . 73.5 t -69.26 -44.93 80.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.693 0.282 . . . . 0.0 110.954 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.968 0.413 . . . . 0.0 110.625 178.695 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.41 ' O ' HG23 ' B' ' 12' ' ' VAL . 62.3 m . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -55.85 -44.35 77.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.423 -176.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -56.87 -46.95 81.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.468 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.601 ' O ' HG13 ' B' ' 15' ' ' ILE . 40.2 ttt85 -63.76 -49.67 72.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.887 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.532 HG22 HD11 ' A' ' 32' ' ' LEU . 91.0 t -58.86 -50.03 80.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.469 -178.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' B' ' 16' ' ' ILE . 38.3 mt-10 -67.15 -30.89 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.287 -177.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -68.25 -35.37 77.8 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.236 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.601 HG13 ' O ' ' B' ' 11' ' ' ARG . 65.9 mt -62.71 -46.91 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' B' ' 13' ' ' GLU . 53.0 mt -59.32 -47.2 91.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.357 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -62.36 -38.25 88.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.953 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.46 -36.14 71.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 110.211 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 98.3 mt -62.56 -46.34 88.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.886 173.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.475 HD23 HD12 ' B' ' 23' ' ' LEU . 96.4 mt -63.64 -31.66 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.359 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.77 -41.51 99.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.407 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.476 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 57.7 t -66.3 -33.18 61.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.185 0.517 . . . . 0.0 110.309 176.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.475 HD12 HD23 ' B' ' 20' ' ' LEU . 87.6 mt -67.75 -37.87 82.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 62.9 t -74.02 -35.6 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.063 0.459 . . . . 0.0 110.055 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 60.8 tttt -51.08 -45.91 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.86 174.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.46 ' HB2' HG13 ' B' ' 28' ' ' VAL . 46.6 mm-40 -92.08 -9.04 44.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.569 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 55.46 45.66 24.72 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.248 0.547 . . . . 0.0 109.884 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.46 HG13 ' HB2' ' B' ' 26' ' ' GLU . 34.1 m -63.89 151.44 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.185 -173.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.443 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 23.0 p -93.46 167.92 13.02 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.02 172.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 74.5 Cg_exo -50.53 -43.52 44.58 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.233 1.955 . . . . 0.0 112.185 176.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.77 -55.94 27.91 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.317 177.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.7 tp -67.22 -40.27 86.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.159 -174.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.12 -55.99 23.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.135 -177.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.1 -35.19 80.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.173 -176.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttp -63.39 -48.51 77.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -69.95 -40.19 75.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.544 ' O ' HG23 ' B' ' 41' ' ' VAL . 80.8 mt -62.66 -44.59 95.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.675 0.274 . . . . 0.0 110.852 178.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.27 -44.33 96.59 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.66 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.467 ' HA ' HG22 ' B' ' 42' ' ' THR . 29.1 m-80 -66.03 -32.14 73.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.985 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.39 -43.53 77.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.369 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 37' ' ' LEU . 57.3 t -65.15 -46.92 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.467 HG22 ' HA ' ' B' ' 39' ' ' ASN . 12.2 t -67.2 -23.0 65.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.965 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 67.3 t30 -75.26 -39.53 59.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.185 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -69.39 -41.82 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.24 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.547 HG22 ' HG3' ' B' ' 53' ' ' ARG . 67.6 mt -66.48 -22.92 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.48 -1.8 47.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.293 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 77.2 mt-30 -99.65 -15.18 18.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.823 0.345 . . . . 0.0 111.086 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.485 ' HB ' ' HD2' ' B' ' 52' ' ' LYS . 30.1 m -94.95 153.22 39.94 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.528 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.475 ' HG2' ' HG2' ' B' ' 52' ' ' LYS . 9.9 Cg_endo -52.3 142.92 45.18 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.03 2.486 . . . . 0.0 111.915 177.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.507 ' HA ' ' CB ' ' B' ' 53' ' ' ARG . 32.2 mt-10 -63.59 -24.91 68.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.801 -174.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -56.73 -43.87 81.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.433 . . . . 0.0 110.609 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.485 ' HD2' ' HB ' ' B' ' 48' ' ' VAL . 19.4 ptpt -96.78 -15.86 21.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.561 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.547 ' HG3' HG22 ' B' ' 45' ' ' ILE . 42.1 ttm180 -57.86 -42.58 84.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.49 -175.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.95 -34.62 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.156 0.503 . . . . 0.0 110.34 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.33 -42.84 58.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.743 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.04 -35.65 75.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -176.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.542 ' HB ' HD13 ' B' ' 45' ' ' ILE . 7.1 p -76.62 -33.82 22.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.319 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' B' ' 62' ' ' LYS . 29.8 t70 -65.97 -44.21 85.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.919 0.39 . . . . 0.0 110.175 177.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -73.35 -29.28 62.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.033 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.57 -53.55 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.405 HG22 HG22 ' A' ' 61' ' ' THR . 24.3 p -65.16 -38.57 90.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.766 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.55 ' HB2' ' HE3' ' B' ' 62' ' ' LYS . 23.6 ttmt -56.91 -47.34 80.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.001 173.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.1 -32.79 72.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.391 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 61' ' ' THR . 58.0 mt -58.54 -49.48 77.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.679 0.276 . . . . 0.0 110.467 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -59.24 -42.77 91.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.867 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -61.04 -46.36 91.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.325 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.8 p -74.59 -30.34 61.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.758 -175.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.661 0.267 . . . . 0.0 111.284 178.958 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 12' ' ' VAL . 32.6 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -56.1 -43.32 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.391 0.432 . . . . 0.0 110.571 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.6 mp0 -58.88 -44.94 91.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.511 178.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.528 ' O ' HG13 ' A' ' 15' ' ' ILE . 74.1 ttt180 -66.26 -42.96 87.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.735 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 8' ' ' SER . 95.2 t -57.05 -48.46 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.703 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.2 -38.42 91.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.938 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -63.16 -42.42 99.41 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.635 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 11' ' ' ARG . 80.0 mt -62.12 -46.14 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.734 0.302 . . . . 0.0 110.513 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.473 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.6 mt -58.67 -46.01 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.276 177.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -65.33 -38.54 90.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.671 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -62.78 -40.68 98.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.247 0.546 . . . . 0.0 109.842 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.65 -43.24 90.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.596 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.6 mt -61.7 -35.23 77.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.632 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 24.5 m-20 -59.2 -43.33 92.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.277 176.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.97 -43.61 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.076 0.465 . . . . 0.0 110.701 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 HD23 ' A' ' 20' ' ' LEU . 90.7 mt -62.07 -41.73 98.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.357 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.0 t -75.02 -33.11 28.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.083 0.468 . . . . 0.0 110.516 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 34.8 ttmt -60.33 -40.12 89.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.554 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.519 ' HG3' HG12 ' B' ' 15' ' ' ILE . 67.5 mm-40 -88.84 -7.43 56.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.87 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 52.36 53.13 12.86 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.766 -174.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.72 137.93 23.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.443 0.639 . . . . 0.0 111.645 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.598 HG22 ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -83.36 151.02 61.76 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.958 174.385 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.866 ' HB3' HG22 ' B' ' 48' ' ' VAL . 2.7 Cg_exo -36.35 -58.57 0.49 Allowed 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.919 3.08 . . . . 0.0 113.554 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.0 -52.8 59.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -59.61 -44.71 93.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.274 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.7 76.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.157 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 99.1 mt -59.33 -42.87 92.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.7 ttp -61.85 -44.3 97.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.6 m -68.89 -48.08 64.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.823 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 41' ' ' VAL . 98.0 mt -60.96 -42.42 98.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.82 96.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.915 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -66.82 -36.51 82.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.685 0.243 . . . . 0.0 111.092 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.95 -47.36 80.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.56 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 37' ' ' LEU . 48.3 t -60.87 -50.87 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.524 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.0 m -57.52 -29.94 64.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.778 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -75.84 -46.7 28.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.333 -0.229 . . . . 0.0 111.272 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 tt -74.71 -26.53 19.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.498 -174.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 41' ' ' VAL . 70.4 mt -65.53 -29.49 47.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.032 0.444 . . . . 0.0 110.308 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.1 -21.05 63.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -78.69 -24.2 45.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.947 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' B' ' 30' ' ' PRO . 19.4 t -72.08 135.98 82.31 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.557 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HG2' ' HD3' ' A' ' 52' ' ' LYS . 10.1 Cg_endo -54.91 139.16 78.87 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.821 2.347 . . . . 0.0 111.747 177.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -52.69 -35.41 55.38 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.337 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 t -54.81 -30.06 56.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.492 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.498 ' HG3' HG12 ' A' ' 48' ' ' VAL . 20.2 ptmt -125.03 2.24 7.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.842 0.353 . . . . 0.0 111.072 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -68.73 -34.5 75.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.5 t -75.92 -40.8 38.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.28 93.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.761 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.33 -35.85 75.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.672 HG22 ' HG2' ' B' ' 65' ' ' LYS . 14.0 p -78.93 -35.53 17.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.84 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.76 -50.46 72.28 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.992 0.425 . . . . 0.0 110.168 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -67.21 -28.79 68.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.185 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -62.74 -52.63 62.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.043 0.449 . . . . 0.0 109.889 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.464 HG21 ' HG3' ' B' ' 65' ' ' LYS . 47.0 p -67.41 -31.54 71.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.848 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -60.63 -54.46 45.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.231 174.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.14 99.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.887 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 68' ' ' VAL . 16.8 mt -53.19 -68.78 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.528 ' HD3' ' HA ' ' B' ' 58' ' ' ASP . 53.7 mtmt -63.1 -38.49 91.38 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -172.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -64.83 -41.87 95.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.703 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -70.57 -36.7 73.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.73 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 64' ' ' LEU . 74.9 t -66.83 -31.83 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 111.142 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.4 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.92 0.391 . . . . 0.0 110.582 176.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.416 ' O ' HG23 ' B' ' 12' ' ' VAL . 20.6 m . . . . . 0 N--CA 1.448 -0.535 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -63.63 -24.55 67.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.688 0.28 . . . . 0.0 110.469 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.34 -44.49 95.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.127 172.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.566 ' O ' HG13 ' B' ' 15' ' ' ILE . 31.9 ttt180 -73.1 -36.86 66.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.377 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 8' ' ' SER . 62.6 t -58.3 -44.3 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -61.61 -41.66 97.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.855 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -58.91 -50.03 75.56 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.738 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.3 mt -57.65 -48.25 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.764 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.54 -43.82 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.396 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -64.62 -38.65 91.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.131 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.91 -37.06 81.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.604 0.24 . . . . 0.0 110.839 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 94.8 mt -62.17 -48.26 80.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.954 0.407 . . . . 0.0 109.978 175.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.436 HD23 HD12 ' B' ' 23' ' ' LEU . 95.5 mt -65.3 -32.23 73.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.342 177.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -60.82 -44.53 96.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.646 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.63 -36.18 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.172 0.51 . . . . 0.0 110.427 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.581 HD22 HG21 ' B' ' 28' ' ' VAL . 81.7 mt -66.16 -36.49 83.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.712 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 20' ' ' LEU . 92.1 t -76.07 -38.33 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.267 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -52.24 -44.31 64.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.175 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.488 ' HG3' HG12 ' A' ' 15' ' ' ILE . 54.1 mm-40 -89.82 -13.95 35.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.026 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 50.65 57.14 6.95 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.394 0.616 . . . . 0.0 109.965 -170.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.581 HG21 HD22 ' B' ' 23' ' ' LEU . 22.4 m -70.6 161.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.362 -175.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 60.4 p -93.41 163.37 24.97 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.276 173.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.518 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 84.4 Cg_exo -48.71 -48.08 18.83 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.219 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.35 -43.93 93.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.982 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.91 -40.95 95.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.79 79.16 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.855 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 94.6 mt -59.09 -44.46 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 48.0 ttp -62.5 -39.92 95.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.261 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m -74.44 -49.17 23.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.758 0.313 . . . . 0.0 111.161 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.596 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.8 mt -63.44 -50.27 70.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.65 -34.96 91.13 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.593 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' B' ' 35' ' ' MET . 22.4 t-20 -67.97 -41.55 82.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.491 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -63.93 -44.17 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.908 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 37' ' ' LEU . 94.3 t -56.73 -40.37 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.637 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 54.7 m -59.59 -40.13 86.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.245 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -78.63 -22.84 46.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.247 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.491 HG12 ' O ' ' B' ' 40' ' ' ALA . 38.6 mm -74.31 -45.18 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.92 0.39 . . . . 0.0 110.34 177.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.533 HD13 ' HB ' ' B' ' 57' ' ' VAL . 77.8 mt -63.17 -26.97 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.793 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.72 -16.97 62.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -91.39 -25.59 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.24 0.543 . . . . 0.0 110.119 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.866 HG22 ' HB3' ' A' ' 30' ' ' PRO . 34.5 t -64.83 141.89 98.45 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.527 176.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.531 ' HB2' ' HG2' ' B' ' 52' ' ' LYS . 68.9 Cg_exo -39.49 125.84 1.43 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.177 2.585 . . . . 0.0 112.891 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.485 ' HA ' ' HG3' ' B' ' 53' ' ' ARG . 29.3 tt0 -54.48 -38.89 66.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.544 -171.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -62.45 -25.27 67.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.531 ' HG2' ' HB2' ' B' ' 49' ' ' PRO . 19.4 ptpt -110.38 2.32 18.96 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.842 -176.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.485 ' HG3' ' HA ' ' B' ' 50' ' ' GLU . 84.5 mtt180 -58.87 -42.65 89.94 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.609 0.242 . . . . 0.0 111.625 -176.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.61 -36.19 73.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.296 0.57 . . . . 0.0 110.524 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.24 -47.63 60.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.241 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.38 -34.19 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -176.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.533 ' HB ' HD13 ' B' ' 45' ' ' ILE . 12.3 p -73.89 -36.96 46.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.971 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.528 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 36.8 t70 -71.69 -43.32 66.17 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.208 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -62.86 -32.84 74.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.143 175.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -62.94 -51.69 65.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.685 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 50.2 p -65.11 -35.42 81.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.242 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -58.91 -58.04 10.4 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.578 174.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.17 84.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.472 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.427 ' O ' HG23 ' B' ' 68' ' ' VAL . 9.3 mt -53.68 -66.41 0.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.425 177.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.672 ' HG2' HG22 ' A' ' 57' ' ' VAL . 41.5 mtmt -69.16 -19.33 64.0 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.349 -173.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -68.26 -43.81 77.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.985 0.422 . . . . 0.0 110.107 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.0 m -87.37 -18.82 29.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.623 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 64' ' ' LEU . 54.5 t . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -54.71 -38.2 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.716 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.74 -30.98 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.445 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.576 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.6 ttt-85 -69.64 -47.97 61.55 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.69 -39.48 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.446 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -55.39 -48.72 73.9 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.225 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -63.41 -45.31 91.57 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.491 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 11' ' ' ARG . 72.4 mt -56.47 -47.95 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.641 0.257 . . . . 0.0 110.826 -177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.87 -40.55 87.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.06 0.457 . . . . 0.0 110.171 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -62.81 -47.83 81.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.367 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.43 -44.93 85.06 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.903 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 82.4 mt -60.63 -52.4 65.33 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.253 0.549 . . . . 0.0 110.822 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 23' ' ' LEU . 84.8 mt -65.25 -33.63 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.398 -178.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -62.66 -44.76 95.45 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.41 -43.03 93.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.28 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.422 HD12 HD23 ' A' ' 20' ' ' LEU . 98.7 mt -61.75 -47.3 85.84 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.083 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 20' ' ' LEU . 96.0 t -67.32 -38.34 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.832 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -58.12 -43.65 87.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.143 0.497 . . . . 0.0 110.658 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -79.56 -6.48 57.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.328 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.25 43.07 29.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.0 m -65.97 146.36 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.04 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 p -81.35 161.74 61.19 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.497 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 52.0 Cg_exo -53.82 -36.09 81.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 121.845 1.696 . . . . 0.0 110.971 174.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.45 -55.14 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.608 176.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.622 HD11 HG22 ' B' ' 12' ' ' VAL . 53.1 tp -62.72 -40.83 98.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.154 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB3' HG21 ' B' ' 44' ' ' ILE . . . -60.74 -45.06 95.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.291 -178.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.5 mt -64.22 -37.59 88.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.727 0.298 . . . . 0.0 110.898 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.5 ttp -68.02 -30.12 69.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.762 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.3 m -81.71 -50.21 9.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.9 0.381 . . . . 0.0 110.592 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.8 mt -64.9 -50.24 67.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.561 -176.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.59 82.04 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.208 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -70.21 -42.15 72.7 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -61.91 -43.74 98.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.667 176.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 37' ' ' LEU . 78.2 t -57.48 -47.83 84.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.27 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.4 m -61.25 -35.63 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.93 -25.79 60.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.597 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 40' ' ' ALA . 40.0 mm -83.69 -45.0 18.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.025 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.467 HD13 ' HB ' ' A' ' 57' ' ' VAL . 64.7 mt -62.33 -26.86 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 121.089 0.471 . . . . 0.0 111.084 -178.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.2 -22.88 65.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.448 . . . . 0.0 110.892 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -93.04 -8.86 41.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.254 0.549 . . . . 0.0 110.449 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.635 HG22 ' HB3' ' B' ' 30' ' ' PRO . 58.3 t -79.16 136.01 57.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.662 178.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -59.23 140.81 96.45 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.681 2.254 . . . . 0.0 111.982 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.8 -32.7 20.82 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.156 -176.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 m -53.32 -31.38 43.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -129.73 5.67 5.08 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.268 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -61.19 -44.33 97.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 111.184 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.0 -33.74 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.507 0.67 . . . . 0.0 110.073 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.57 -45.55 68.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.354 -177.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.7 m -63.52 -41.32 92.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.467 ' HB ' HD13 ' A' ' 45' ' ' ILE . 7.1 p -70.93 -35.53 60.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.989 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.82 -43.69 65.16 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.245 178.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.69 -39.32 91.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.754 0.311 . . . . 0.0 110.304 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.54 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 63.5 t80 -57.44 -55.7 31.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.363 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.661 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 21.3 p -64.58 -38.57 91.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.707 -176.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -62.37 -57.84 9.84 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.079 0.466 . . . . 0.0 110.761 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.37 -36.95 83.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.164 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 1.2 tt -59.99 -51.48 69.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.197 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 61' ' ' THR . 10.3 mtmp? -58.55 -46.11 87.54 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.264 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.84 -23.7 61.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.843 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 m -81.89 -17.92 45.55 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.239 0.543 . . . . 0.0 110.752 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.3 t -85.1 -42.19 16.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 174.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.443 177.527 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.523 ' O ' HG23 ' B' ' 12' ' ' VAL . 13.7 t . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.76 -32.48 65.65 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.2 0.313 . . . . 0.0 110.758 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -55.45 -54.24 46.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.168 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.549 ' O ' HG13 ' B' ' 15' ' ' ILE . 63.8 ttt180 -66.42 -43.46 85.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.033 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.622 HG22 HD11 ' A' ' 32' ' ' LEU . 91.9 t -55.7 -57.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.524 -177.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.498 ' HA ' HD12 ' B' ' 16' ' ' ILE . 38.6 mt-10 -73.05 -19.77 61.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.057 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -73.61 -36.33 65.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.112 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.563 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 88.5 mt -61.14 -46.26 96.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 174.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' B' ' 13' ' ' GLU . 63.5 mt -56.85 -46.72 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.411 175.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -57.46 -45.68 84.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.392 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.423 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.2 t0 -65.77 -37.13 85.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 86.5 mt -65.48 -46.4 79.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.089 0.471 . . . . 0.0 110.315 175.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 93.7 mt -61.68 -39.18 90.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.707 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.7 -41.66 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.879 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 99.9 t -60.49 -45.69 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.244 176.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.67 -44.34 97.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 20' ' ' LEU . 98.3 t -68.13 -42.5 85.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.073 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -58.46 -45.29 88.89 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.041 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 62.9 mm-40 -76.73 -11.44 59.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.7 -175.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 60.08 37.04 21.24 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.364 0.415 . . . . 0.0 111.039 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m -70.9 150.56 9.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.998 0.427 . . . . 0.0 111.309 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.8 p -79.11 156.7 76.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.576 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.635 ' HB3' HG22 ' A' ' 48' ' ' VAL . 61.5 Cg_exo -52.01 -49.09 18.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.589 2.193 . . . . 0.0 112.601 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.35 -39.59 93.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.104 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -67.03 -46.79 73.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.543 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -57.15 -48.87 77.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.125 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.41 -37.65 86.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 55.2 ttp -62.42 -46.23 89.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 110.416 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -66.19 -43.85 85.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.453 ' O ' HG23 ' B' ' 41' ' ' VAL . 93.7 mt -60.91 -43.91 97.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.812 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.13 -41.72 94.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.464 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -63.62 -43.63 96.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.679 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.461 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -58.58 -49.45 77.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.873 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.0 t -59.62 -44.76 94.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 51.1 m -59.5 -34.45 72.61 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.508 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -75.93 -32.31 59.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.668 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.461 HG12 ' O ' ' B' ' 40' ' ' ALA . 46.2 mm -67.53 -43.94 86.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.015 0.436 . . . . 0.0 110.636 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 62.7 mt -68.93 -18.82 23.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.269 0.557 . . . . 0.0 110.663 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.4 59.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.296 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -81.99 -28.65 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.311 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.534 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 26.8 m -85.95 161.13 50.89 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.734 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' B' ' 48' ' ' VAL . 13.4 Cg_endo -57.66 147.13 81.56 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.795 2.33 . . . . 0.0 111.991 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.513 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 36.5 mt-10 -64.28 -26.55 68.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.198 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -58.31 -32.19 68.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.051 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.47 ' O ' HG22 ' B' ' 56' ' ' VAL . 19.2 ptpt -108.12 -8.62 15.76 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 120.432 -0.507 . . . . 0.0 112.028 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.513 ' NH1' ' HG2' ' B' ' 50' ' ' GLU . 92.6 mtt180 -57.31 -46.99 82.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 117.934 0.334 . . . . 0.0 111.268 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 39.5 t -70.79 -34.48 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.104 0.478 . . . . 0.0 110.34 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -46.79 69.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.508 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 52' ' ' LYS . 26.9 m -69.64 -40.4 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.366 -177.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -67.6 -34.28 67.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.114 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.69 -47.35 63.54 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.185 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -62.31 -35.63 79.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.284 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -58.43 -50.74 72.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.395 174.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.661 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 46.5 p -69.18 -37.53 78.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.59 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.12 -45.1 96.07 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.154 0.502 . . . . 0.0 110.047 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.53 -50.08 75.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.747 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.3 -52.27 46.72 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.35 0.406 . . . . 0.0 111.554 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -53.71 -52.85 58.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.773 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.85 -17.78 55.06 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -175.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 64.0 m -83.3 -26.94 30.17 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.201 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.607 0.242 . . . . 0.0 111.096 179.671 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -51.77 -43.64 63.07 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.222 0.326 . . . . 0.0 110.701 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -58.23 -43.22 87.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.941 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.5 ' O ' HG13 ' A' ' 15' ' ' ILE . 55.4 ttt180 -66.42 -45.53 79.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.58 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.447 HG22 HD11 ' B' ' 32' ' ' LEU . 47.8 t -59.59 -44.87 94.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.194 0.521 . . . . 0.0 110.013 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -56.9 -42.37 79.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.562 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -65.78 -49.3 68.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.252 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 79.5 mt -56.87 -44.13 81.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.745 -178.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.495 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.0 mt -60.78 -40.36 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.221 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -64.77 -46.36 82.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.549 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -57.55 -38.47 74.82 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.994 0.426 . . . . 0.0 110.682 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 96.6 mt -65.0 -44.27 89.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.42 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 97.1 mt -63.05 -37.28 86.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.616 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.77 -43.83 90.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.71 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.82 -41.74 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.669 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD22 HG21 ' A' ' 28' ' ' VAL . 89.8 mt -60.58 -45.83 92.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.836 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.07 -39.75 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.03 0.443 . . . . 0.0 110.313 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -55.08 -34.31 63.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.586 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' HG3' HG12 ' B' ' 15' ' ' ILE . 81.2 mm-40 -98.6 -9.9 24.15 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -177.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 55.3 46.94 22.52 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.411 0.624 . . . . 0.0 110.284 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.499 HG13 ' HB2' ' A' ' 26' ' ' GLU . 17.2 m -65.93 119.49 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.007 -175.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 32' ' ' LEU . 9.1 t -67.05 149.99 98.19 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 169.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -40.62 -44.3 4.5 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.131 2.554 . . . . 0.0 113.271 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -56.66 18.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.295 0.569 . . . . 0.0 110.295 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.547 ' H ' HG23 ' A' ' 29' ' ' THR . 60.5 tp -63.07 -42.99 99.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.704 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.05 -57.75 11.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.093 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.79 -33.22 75.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.201 -176.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.4 ttp -64.42 -49.08 72.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.661 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.2 m -67.5 -43.54 80.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.96 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.502 HD13 HG22 ' B' ' 41' ' ' VAL . 96.1 mt -61.09 -45.88 92.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.867 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.35 -45.92 93.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.759 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -68.54 -37.6 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.608 0.242 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -60.49 -49.89 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.563 177.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.598 HG11 ' CE2' ' A' ' 60' ' ' PHE . 78.8 t -61.69 -41.4 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.718 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.459 ' HA ' HG22 ' B' ' 68' ' ' VAL . 99.3 m -56.61 -44.77 81.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 178.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.547 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 59.1 t30 -65.94 -36.93 84.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.799 0.333 . . . . 0.0 110.567 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 40' ' ' ALA . 42.2 mm -63.42 -49.64 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.926 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.533 HG22 ' HG3' ' A' ' 53' ' ' ARG . 55.0 mt -73.33 -21.61 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.095 0.474 . . . . 0.0 110.934 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.56 -18.46 62.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.992 0.425 . . . . 0.0 110.859 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 69.1 mt-30 -83.36 -8.6 59.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.454 0.645 . . . . 0.0 109.902 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -91.85 127.53 49.54 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.55 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -51.67 136.75 50.28 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.878 2.385 . . . . 0.0 112.219 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.26 -21.92 37.77 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -175.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -59.9 -34.64 73.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.813 0.339 . . . . 0.0 111.148 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -125.47 15.96 8.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.103 0.478 . . . . 0.0 110.808 -177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.533 ' HG3' HG22 ' A' ' 45' ' ' ILE . 42.2 ttm180 -80.12 -36.57 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.909 -177.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.85 -39.48 84.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.26 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -49.76 76.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.444 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.5 m -71.19 -41.24 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.532 HG22 ' HG2' ' B' ' 65' ' ' LYS . 10.8 p -68.85 -32.93 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.255 -178.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -75.47 -36.31 60.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 110.495 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -72.12 -35.73 69.21 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.768 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.598 ' CE2' HG11 ' A' ' 41' ' ' VAL . 73.3 t80 -58.62 -54.62 45.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.401 0.62 . . . . 0.0 110.153 175.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.585 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 16.7 p -68.08 -37.43 81.22 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.429 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -56.3 -47.72 78.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.714 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.37 -36.67 79.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.315 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 68' ' ' VAL . 9.6 mt -55.78 -59.76 4.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.382 177.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.499 ' HG2' HG22 ' B' ' 57' ' ' VAL . 58.7 mtmt -60.96 -35.26 76.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.002 -176.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.6 -48.63 76.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.099 0.476 . . . . 0.0 110.746 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -74.22 -9.94 59.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.519 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 64' ' ' LEU . 78.1 t -91.3 -46.86 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.343 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 89.5 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.054 0.454 . . . . 0.0 110.5 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.492 ' O ' HG23 ' B' ' 12' ' ' VAL . 35.3 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -56.68 -29.17 62.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.6 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -48.66 -52.8 21.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.616 174.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.581 ' O ' HG13 ' B' ' 15' ' ' ILE . 56.0 ttt180 -82.76 -33.44 27.41 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.834 -175.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 8' ' ' SER . 91.3 t -56.52 -53.61 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.59 0.233 . . . . 0.0 110.464 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -67.43 -35.67 79.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.548 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' B' ' 11' ' ' ARG . 32.5 ttmt -54.03 -48.95 69.97 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.142 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.581 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.0 mt -66.97 -41.15 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.985 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 12' ' ' VAL . 83.1 mt -58.42 -47.6 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.697 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -67.73 -36.17 80.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.764 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.9 -49.65 76.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.338 0.59 . . . . 0.0 109.765 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.19 -47.25 87.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.902 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 78.4 mt -62.21 -39.96 94.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -60.37 -43.61 96.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.53 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 91.1 t -57.41 -47.48 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.99 0.424 . . . . 0.0 110.472 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.34 -48.92 75.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.238 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 20' ' ' LEU . 97.5 t -66.18 -35.65 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.027 -178.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -59.5 -38.59 81.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.441 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -83.47 -11.83 57.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.392 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 59.2 41.55 20.05 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.493 0.496 . . . . 0.0 110.904 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.35 139.0 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.039 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.625 HG23 ' H ' ' B' ' 32' ' ' LEU . 5.8 t -70.99 147.3 93.81 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.379 175.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.531 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 98.3 Cg_exo -43.86 -41.86 11.99 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.195 2.597 . . . . 0.0 113.274 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -64.33 -47.0 81.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.03 0.443 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.625 ' H ' HG23 ' B' ' 29' ' ' THR . 62.4 tp -62.14 -40.85 97.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.369 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.61 76.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.666 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 84.5 mt -60.99 -40.62 94.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.976 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.4 ttp -63.64 -42.17 98.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.887 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.8 m -71.23 -48.74 49.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.657 0.265 . . . . 0.0 110.785 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.477 HD13 HG22 ' A' ' 41' ' ' VAL . 96.8 mt -62.54 -38.51 90.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.057 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.14 -44.59 96.26 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.426 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.521 ' HA ' HG22 ' B' ' 42' ' ' THR . 30.9 m-80 -68.31 -32.09 71.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.803 0.335 . . . . 0.0 110.958 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.501 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -66.18 -49.02 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.502 HG22 HD13 ' A' ' 37' ' ' LEU . 71.1 t -65.53 -44.26 94.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.09 -178.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.521 HG22 ' HA ' ' B' ' 39' ' ' ASN . 14.7 t -65.25 -25.01 67.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.281 -175.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -84.11 -21.36 31.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.316 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.501 HG12 ' O ' ' B' ' 40' ' ' ALA . 49.1 mm -77.64 -42.3 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.703 175.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.551 HG22 ' HG3' ' B' ' 53' ' ' ARG . 54.4 mt -69.58 -20.12 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.435 0.636 . . . . 0.0 110.209 178.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.43 -4.05 49.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.219 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -90.88 -29.78 17.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.472 HG22 ' O ' ' B' ' 45' ' ' ILE . 32.5 m -80.11 152.81 74.34 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.38 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -57.67 148.42 74.06 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.996 2.464 . . . . 0.0 112.446 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.41 -9.64 43.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 111.358 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.6 t -74.04 -18.13 60.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.558 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.47 ' O ' HG23 ' B' ' 56' ' ' VAL . 28.6 mtpp -125.43 -15.5 6.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.706 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.551 ' HG3' HG22 ' B' ' 45' ' ' ILE . 39.4 ttm180 -57.72 -45.96 85.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.323 -171.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.9 t -71.52 -38.34 67.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.089 0.471 . . . . 0.0 110.156 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.46 88.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.753 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 52' ' ' LYS . 69.9 t -63.35 -47.41 92.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.544 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.499 HG22 ' HG2' ' A' ' 65' ' ' LYS . 8.6 p -68.15 -38.74 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.412 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.49 -46.61 79.05 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 109.973 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.11 -38.81 92.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.031 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.444 ' CE2' HG11 ' B' ' 41' ' ' VAL . 73.7 t80 -59.95 -56.32 23.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.057 176.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.585 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 19.2 p -63.98 -41.17 97.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.972 -177.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' B' ' 62' ' ' LYS . 32.6 ttmt -56.73 -55.99 27.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.781 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.32 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.511 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.25 -45.43 93.33 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.34 0.4 . . . . 0.0 110.662 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.532 ' HG2' HG22 ' A' ' 57' ' ' VAL . 7.8 mtmp? -63.22 -36.79 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.196 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -64.62 -45.07 88.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.384 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 11.8 p -71.9 -28.94 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.284 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 42' ' ' THR . 55.3 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.446 -0.631 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -46.41 80.57 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.321 0.582 . . . . 0.0 110.022 -176.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 1.5 mp0 -53.35 -42.98 67.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.926 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.581 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.5 ttt180 -74.96 -41.88 58.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.995 -177.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 16' ' ' ILE . 93.6 t -55.85 -46.28 80.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 120.714 0.292 . . . . 0.0 110.673 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.35 -25.95 60.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -68.5 -38.99 81.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.015 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 11' ' ' ARG . 74.4 mt -62.91 -46.22 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.913 176.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.456 HG23 ' HB2' ' B' ' 40' ' ' ALA . 69.5 mt -58.13 -42.03 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.209 176.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -61.35 -46.98 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.674 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.29 -41.13 75.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.602 0.239 . . . . 0.0 111.167 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD13 HD23 ' B' ' 37' ' ' LEU . 78.7 mt -62.64 -46.38 88.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 110.455 177.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.407 ' O ' HG23 ' A' ' 24' ' ' VAL . 96.9 mt -60.87 -40.06 91.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.753 178.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.11 -43.59 82.45 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.096 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.6 t -61.71 -44.93 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.074 0.464 . . . . 0.0 110.76 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.06 -44.37 92.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.906 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 20' ' ' LEU . 98.7 t -69.78 -31.55 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.931 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -64.23 -36.18 83.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.837 0.351 . . . . 0.0 110.6 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' HB2' HG13 ' A' ' 28' ' ' VAL . 56.6 mm-40 -84.36 -16.55 42.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.791 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 57.77 53.98 6.62 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.182 0.515 . . . . 0.0 109.696 -173.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.515 HG13 ' HB2' ' A' ' 26' ' ' GLU . 35.2 m -76.29 145.03 11.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.606 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.533 HG23 ' H ' ' A' ' 32' ' ' LEU . 1.2 t -75.63 145.85 79.37 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 171.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -45.98 -39.67 19.88 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.025 2.483 . . . . 0.0 112.9 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.68 -50.09 73.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.022 0.439 . . . . 0.0 110.561 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.657 HD11 HG22 ' B' ' 12' ' ' VAL . 63.2 tp -63.87 -42.56 97.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.516 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.79 -52.55 64.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.075 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.17 -40.19 95.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.044 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.64 -38.63 91.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.769 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.6 m -73.2 -45.84 53.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.414 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD13 HG22 ' B' ' 41' ' ' VAL . 94.9 mt -60.73 -42.68 97.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.187 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.81 -42.97 92.25 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.345 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -68.68 -38.18 80.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.648 0.261 . . . . 0.0 110.611 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -63.7 -46.93 83.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.75 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 37' ' ' LEU . 99.6 t -59.07 -49.47 83.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.355 178.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.6 m -58.86 -36.78 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.221 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -68.63 -36.21 78.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 110.574 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 40' ' ' ALA . 46.3 mm -72.18 -43.99 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.543 HG22 ' HG3' ' A' ' 53' ' ' ARG . 60.5 mt -64.58 -28.99 46.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.727 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -19.85 65.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.306 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -87.95 -11.82 46.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.419 . . . . 0.0 110.098 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.447 HG22 ' CB ' ' B' ' 30' ' ' PRO . 40.8 t -82.05 136.34 47.21 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.965 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -45.64 129.48 11.55 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.727 2.285 . . . . 0.0 111.527 173.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.544 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 26.2 tt0 -60.72 -29.4 69.33 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -169.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -63.38 -30.24 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.651 0.262 . . . . 0.0 111.535 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -112.68 8.81 19.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.146 0.498 . . . . 0.0 110.121 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.544 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 41.6 ttm180 -74.56 -42.25 59.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.994 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.46 -31.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.927 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.86 -52.57 35.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.273 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.4 m -64.27 -37.01 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.101 -175.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 p -72.73 -34.68 47.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.038 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -43.51 73.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.097 0.475 . . . . 0.0 110.232 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -64.88 -38.46 91.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.223 175.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -58.29 -52.3 66.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.438 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 24.8 p -65.33 -37.77 88.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.786 -177.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 62.0 tttm -64.88 -51.51 61.57 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 120.932 0.396 . . . . 0.0 110.615 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.12 83.23 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.934 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -55.23 -58.71 6.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.378 177.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 61' ' ' THR . 46.6 mtpt -58.86 -48.31 81.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.911 -172.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 4.4 pt20 -71.5 -29.38 64.73 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.043 -176.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 m -82.83 -16.55 47.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.136 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.8 t -91.1 -42.53 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.968 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.16 -178.317 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.417 ' O ' HG23 ' B' ' 12' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -64.46 -24.26 67.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.623 -177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 1.6 mp0 -55.5 -54.97 37.31 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.155 0.502 . . . . 0.0 109.732 174.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.522 ' O ' HG13 ' B' ' 15' ' ' ILE . 24.7 ttm180 -68.59 -48.42 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.152 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.657 HG22 HD11 ' A' ' 32' ' ' LEU . 87.7 t -53.7 -50.97 47.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 120.72 0.295 . . . . 0.0 111.537 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.81 -34.02 75.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.42 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -63.95 -46.85 82.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.935 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 11' ' ' ARG . 84.0 mt -55.0 -50.73 60.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.44 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.575 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 66.5 mt -58.76 -44.36 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.6 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -64.25 -45.22 89.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.264 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.433 ' O ' HG23 ' B' ' 22' ' ' VAL . 2.6 m-20 -61.86 -42.03 98.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.927 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 96.0 mt -60.74 -45.1 95.61 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.584 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 91.6 mt -60.13 -43.08 95.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.93 -35.03 79.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.842 0.353 . . . . 0.0 110.603 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' B' ' 25' ' ' LYS . 59.1 t -59.15 -40.39 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.471 175.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -71.81 -37.93 70.3 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.404 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 20' ' ' LEU . 98.8 t -67.2 -40.34 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.431 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 21.1 pttp -65.59 -24.45 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.306 . . . . 0.0 111.005 -177.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.647 ' HB2' HG13 ' B' ' 28' ' ' VAL . 74.6 mm-40 -91.36 -12.58 34.5 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.717 0.294 . . . . 0.0 110.569 177.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 56.34 42.23 28.02 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.535 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' B' ' 26' ' ' GLU . 32.9 m -67.34 150.09 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.401 -178.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.76 152.43 72.18 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 171.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.514 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 83.8 Cg_exo -48.69 -48.09 18.76 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.594 2.196 . . . . 0.0 112.489 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.94 -42.55 99.24 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.07 -44.32 92.76 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.671 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.85 91.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.994 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 84.8 mt -62.05 -40.54 96.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.476 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 49.5 ttp -62.58 -40.08 95.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.748 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 72.0 m -71.64 -47.34 55.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.009 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.566 ' O ' HG23 ' B' ' 41' ' ' VAL . 89.0 mt -60.8 -52.88 63.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.37 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.64 -34.49 89.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.584 -176.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' B' ' 35' ' ' MET . 10.1 t-20 -67.39 -36.69 81.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.221 0.534 . . . . 0.0 109.846 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.456 ' HB2' HG23 ' A' ' 16' ' ' ILE . . . -71.1 -43.88 66.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.636 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.0 t -57.49 -38.75 65.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 178.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.8 m -59.31 -34.55 72.45 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.973 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -76.99 -38.95 52.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.354 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.441 HG12 ' O ' ' B' ' 40' ' ' ALA . 50.2 mm -64.25 -45.56 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.198 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.542 HG22 ' HG3' ' B' ' 53' ' ' ARG . 65.4 mt -66.11 -24.87 34.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 121.287 0.565 . . . . 0.0 110.634 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.37 -19.3 61.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -86.39 -4.2 59.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.275 0.56 . . . . 0.0 110.098 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.432 HG12 ' HG3' ' B' ' 52' ' ' LYS . 52.6 t -94.33 133.38 27.26 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.294 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -51.71 138.81 49.71 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.835 2.356 . . . . 0.0 111.947 176.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.59 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 19.8 mt-10 -62.15 -27.23 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -171.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 45.3 t -57.08 -35.49 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.389 . . . . 0.0 110.87 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.432 ' HG3' HG12 ' B' ' 48' ' ' VAL . 0.7 OUTLIER -112.04 -8.69 14.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.104 179.508 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.59 ' HB3' ' HA ' ' B' ' 50' ' ' GLU . 41.9 ttm180 -62.68 -49.56 74.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 111.158 -177.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.09 -34.18 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.936 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.38 -49.72 58.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.062 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.55 -33.65 63.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -72.14 -41.02 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.893 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -38.69 89.61 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.918 0.39 . . . . 0.0 110.485 176.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -68.33 -39.99 81.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.707 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -60.2 -49.98 75.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.425 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 34.4 p -67.49 -34.18 76.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.086 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -68.86 -44.59 73.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.335 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.04 97.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.439 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 47.7 mt -58.11 -58.22 9.4 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 176.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -54.53 -48.61 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.726 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -65.79 -29.11 69.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 111.581 -176.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.2 m -93.08 -19.96 21.0 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 C--N 1.328 -0.356 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -178.885 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.6 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -61.04 -45.02 96.47 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 -176.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -60.93 -33.63 73.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.441 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 15' ' ' ILE . 30.5 ttt85 -67.36 -43.96 80.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.792 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 16' ' ' ILE . 48.5 t -55.84 -50.34 69.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.338 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -57.45 -45.59 84.58 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.165 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.09 -49.03 79.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.177 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.533 HD13 HG12 ' B' ' 28' ' ' VAL . 63.6 mt -59.51 -44.33 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.815 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 12' ' ' VAL . 78.0 mt -59.5 -47.24 91.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.545 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -64.31 -39.35 93.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.983 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.421 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.7 t70 -68.67 -34.76 76.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.436 -178.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.475 HD13 HD23 ' B' ' 37' ' ' LEU . 99.0 mt -66.52 -47.9 71.46 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.166 0.508 . . . . 0.0 110.163 174.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.89 -28.44 69.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.439 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.556 ' HA ' HG12 ' A' ' 24' ' ' VAL . 13.4 t70 -68.69 -37.83 79.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.375 177.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 18' ' ' ASP . 66.6 t -60.53 -37.85 76.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.44 0.638 . . . . 0.0 109.602 175.007 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.97 -34.34 73.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.232 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.556 HG12 ' HA ' ' A' ' 21' ' ' ASP . 3.6 p -82.53 -21.06 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 110.344 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 55.1 mttp -57.86 -39.96 79.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.203 0.525 . . . . 0.0 109.918 171.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.543 ' HB2' HG13 ' A' ' 28' ' ' VAL . 17.7 mm-40 -96.46 -25.64 15.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.834 -176.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 59.28 59.65 2.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.569 0.699 . . . . 0.0 109.681 -170.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.543 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.0 m -79.1 153.97 4.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.585 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 p -79.09 157.79 75.47 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.706 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.46 -42.19 56.41 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.471 2.114 . . . . 0.0 111.928 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.2 -51.54 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.965 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.442 HD11 HG22 ' B' ' 12' ' ' VAL . 52.3 tp -65.98 -41.88 90.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.675 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.04 -54.78 43.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.32 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.66 -35.6 78.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.319 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.1 ttp -66.52 -43.64 84.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.1 m -71.97 -42.55 66.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.883 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 41' ' ' VAL . 93.1 mt -61.08 -44.29 97.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.034 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.01 -43.8 93.07 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.607 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -62.41 -38.92 91.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 111.19 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.3 -38.49 90.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.616 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 37' ' ' LEU . 57.9 t -67.18 -49.5 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.809 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.8 m -61.32 -33.17 73.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.041 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -63.03 -30.02 71.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.04 0.448 . . . . 0.0 110.836 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -82.32 -42.68 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.308 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.53 HD13 ' HB ' ' A' ' 57' ' ' VAL . 68.1 mt -64.52 -32.78 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.302 -178.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.73 -10.85 51.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.842 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -91.19 -5.71 54.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.42 . . . . 0.0 110.7 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.469 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 17.0 t -90.36 139.99 26.94 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.677 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.67 148.18 90.2 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.122 1.881 . . . . 0.0 112.255 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.42 ' CD ' HH21 ' A' ' 53' ' ' ARG . 4.0 tp10 -59.68 -19.13 47.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.856 -170.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -63.34 -32.43 73.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.81 7.84 3.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.441 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.469 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 37.4 ttp180 -66.81 -37.95 85.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.998 0.428 . . . . 0.0 110.706 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -73.24 -31.31 33.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.201 0.524 . . . . 0.0 110.024 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.28 -44.3 72.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.553 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.41 -37.96 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.53 ' HB ' HD13 ' A' ' 45' ' ' ILE . 7.4 p -73.92 -29.22 25.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.883 0.373 . . . . 0.0 110.445 177.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.34 -52.08 37.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -60.6 -37.72 82.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.504 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.409 ' HE1' ' O ' ' B' ' 34' ' ' LEU . 64.8 t80 -57.46 -60.1 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.316 176.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.508 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 24.0 p -66.16 -36.79 84.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.39 -176.211 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 16.2 tptm -60.45 -56.05 26.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.964 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -30.39 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.573 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 5.1 tt -62.43 -47.23 84.99 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.596 ' HG2' HG22 ' B' ' 57' ' ' VAL . 53.5 mtmt -66.9 -33.89 76.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.043 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 62' ' ' LYS . 27.1 mt-30 -62.9 -29.16 70.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 110.447 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -87.69 -20.7 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.248 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 64' ' ' LEU . 73.7 t -93.69 -41.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.745 -178.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -177.088 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -57.88 -38.43 75.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.753 0.311 . . . . 0.0 110.815 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' B' ' 10' ' ' GLU . 2.5 mp0 -57.87 -41.15 81.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.91 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.545 ' O ' HG13 ' B' ' 15' ' ' ILE . 51.2 ttt180 -74.35 -45.17 48.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.691 -176.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.442 HG22 HD11 ' A' ' 32' ' ' LEU . 59.0 t -57.95 -42.84 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.164 177.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.81 -51.09 70.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.866 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -59.25 -44.4 92.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.287 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 11' ' ' ARG . 71.7 mt -59.43 -46.85 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.694 0.283 . . . . 0.0 110.789 -177.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.3 -44.55 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.571 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.85 -47.85 81.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.766 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -43.04 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.316 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 96.0 mt -60.71 -43.36 97.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.562 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.4 -35.82 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.671 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -63.9 -45.27 90.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.662 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.86 -39.53 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.32 . . . . 0.0 110.81 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 19' ' ' LEU . 94.5 mt -59.49 -50.18 74.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.274 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -75.65 -24.99 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 110.46 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -66.87 -36.73 82.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.619 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.509 ' HG3' HG12 ' A' ' 15' ' ' ILE . 80.7 mm-40 -86.49 -6.06 59.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.557 174.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 59.88 41.31 18.06 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.533 HG12 HD13 ' A' ' 15' ' ' ILE . 30.5 m -64.76 147.93 12.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.497 ' OG1' ' HD2' ' B' ' 30' ' ' PRO . 12.7 t -99.03 152.96 37.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 172.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.497 ' HD2' ' OG1' ' B' ' 29' ' ' THR . 53.5 Cg_exo -34.07 -51.96 0.58 Allowed 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.795 2.997 . . . . 0.0 114.404 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.13 -56.86 15.98 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.128 0.489 . . . . 0.0 110.423 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -57.93 -40.61 80.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.159 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.21 -54.17 49.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.77 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.409 ' O ' ' HE1' ' A' ' 60' ' ' PHE . 90.6 mt -62.61 -41.66 99.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.861 -178.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.527 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 36.8 ttp -60.29 -46.65 89.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.982 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 90.4 m -69.93 -45.25 67.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.224 -0.191 . . . . 0.0 111.443 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.555 ' O ' HG23 ' B' ' 41' ' ' VAL . 80.5 mt -60.48 -52.88 63.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.591 0.234 . . . . 0.0 111.192 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.57 -33.01 86.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.374 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' B' ' 35' ' ' MET . 14.6 t-20 -67.54 -39.25 85.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.013 0.435 . . . . 0.0 109.941 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.49 -43.02 86.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.328 176.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.555 HG23 ' O ' ' B' ' 37' ' ' LEU . 90.2 t -57.15 -47.37 84.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.325 176.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 60.5 m -57.3 -39.73 76.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.05 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 0.2 OUTLIER -67.21 -39.39 86.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.067 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -65.84 -48.79 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.876 0.369 . . . . 0.0 110.734 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.551 HG22 ' HG3' ' B' ' 53' ' ' ARG . 59.5 mt -65.34 -26.32 39.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.038 0.447 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.61 -11.34 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.341 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.3 mt-30 -93.21 -10.63 35.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.233 0.54 . . . . 0.0 110.067 177.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.2 t -86.73 136.65 34.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.726 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -47.38 133.71 20.19 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.914 2.409 . . . . 0.0 112.303 176.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -53.63 -32.72 52.49 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.6 t -49.58 -53.15 25.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 111.207 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -102.14 2.39 37.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.293 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.551 ' HG3' HG22 ' B' ' 45' ' ' ILE . 42.4 ttm180 -64.05 -43.07 96.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.957 0.408 . . . . 0.0 110.512 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.8 t -70.31 -29.75 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.36 0.6 . . . . 0.0 110.272 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.3 -49.26 44.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.094 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.8 m -66.78 -34.81 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.643 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.596 HG22 ' HG2' ' A' ' 65' ' ' LYS . 13.5 p -72.55 -31.86 39.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.696 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.27 -44.01 69.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -62.76 -41.63 99.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.86 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.462 ' CE2' HG11 ' B' ' 41' ' ' VAL . 78.2 t80 -57.81 -52.93 63.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.489 0.662 . . . . 0.0 110.638 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.521 HG21 ' HG3' ' A' ' 65' ' ' LYS . 17.9 p -68.17 -35.14 77.56 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.337 -176.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.02 -45.38 81.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.189 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.03 98.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.461 ' O ' HG23 ' B' ' 68' ' ' VAL . 21.8 mt -54.21 -58.9 5.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -62.53 -29.51 70.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.758 -178.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -67.02 -48.46 68.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.745 175.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 69.3 p -66.38 -32.3 73.6 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 111.267 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 64' ' ' LEU . 96.2 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.401 . . . . 0.0 110.105 175.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.6 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -59.87 -38.92 83.57 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -48.64 -49.0 39.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.871 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.566 ' O ' HG13 ' A' ' 15' ' ' ILE . 63.9 ttt180 -73.99 -41.3 62.13 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.789 -176.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 8' ' ' SER . 97.3 t -57.01 -50.34 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.905 0.383 . . . . 0.0 110.538 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.41 -38.94 93.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.926 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -63.94 -41.38 97.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 11' ' ' ARG . 88.0 mt -60.58 -42.04 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.25 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.533 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 70.9 mt -61.67 -41.67 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.04 176.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -62.52 -46.84 86.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.464 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.448 ' HB3' HG11 ' B' ' 22' ' ' VAL . 0.9 OUTLIER -53.17 -44.75 68.1 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.747 176.231 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 83.6 mt -64.27 -43.77 93.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.81 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 91.4 mt -60.23 -42.73 95.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.928 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -61.29 -38.85 88.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.224 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.8 t -60.99 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.199 0.523 . . . . 0.0 110.655 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.5 HD13 HD11 ' B' ' 44' ' ' ILE . 85.4 mt -67.8 -46.44 71.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.371 -176.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.36 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.556 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 33.3 ttpt -53.44 -41.19 65.84 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.405 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' HB2' HG13 ' A' ' 28' ' ' VAL . 9.6 mm-40 -91.7 -0.14 57.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.426 -176.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 52.31 44.78 29.47 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.613 -175.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.447 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.5 m -65.93 136.9 25.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.37 0.605 . . . . 0.0 111.904 -175.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.13 154.87 63.88 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.362 173.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.45 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 96.3 Cg_exo -45.67 -48.19 12.5 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.061 2.507 . . . . 0.0 113.375 -177.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.2 -49.33 78.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.036 0.446 . . . . 0.0 110.66 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -65.18 -42.35 93.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.801 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.45 73.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.286 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.3 mt -62.79 -42.26 99.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -178.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 53.5 ttp -60.28 -41.74 93.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.862 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.9 m -72.99 -49.13 30.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.5 mt -59.56 -52.25 66.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.69 -34.69 90.38 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.659 -177.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 35' ' ' MET . 5.5 t-20 -65.59 -43.83 88.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 109.87 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -64.24 -41.91 96.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.795 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 37' ' ' LEU . 83.9 t -58.61 -42.03 83.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 177.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.9 m -60.53 -36.3 78.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.195 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -72.91 -30.12 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.064 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 40' ' ' ALA . 48.3 mm -69.73 -47.42 70.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.836 0.35 . . . . 0.0 110.076 177.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -70.39 -15.91 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.309 0.576 . . . . 0.0 110.543 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.615 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -71.82 -14.32 61.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.928 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -93.22 6.28 48.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.341 0.591 . . . . 0.0 110.276 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG12 ' HG3' ' A' ' 52' ' ' LYS . 45.3 t -111.19 118.21 48.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.81 -179.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.99 135.8 44.07 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.907 2.405 . . . . 0.0 112.475 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.582 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 2.2 mp0 -41.45 -39.55 1.53 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.7 t -46.4 -43.45 16.31 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.5 0.5 . . . . 0.0 111.466 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.561 ' HG3' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -112.74 -5.4 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.941 179.313 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.615 ' NH1' ' HA ' ' A' ' 46' ' ' ALA . 18.8 ttm-85 -63.93 -48.63 75.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.558 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.56 -32.52 58.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.229 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -45.65 69.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.088 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.93 -37.49 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -177.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.596 HG22 ' HG2' ' B' ' 65' ' ' LYS . 12.5 p -70.88 -35.15 58.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.238 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.493 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 36.4 t70 -67.71 -48.69 65.82 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -59.89 -35.07 74.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.644 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -59.08 -54.79 43.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.2 0.524 . . . . 0.0 110.196 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.573 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 36.4 p -68.48 -36.5 79.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.629 -176.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -66.11 -39.51 90.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.971 0.415 . . . . 0.0 110.299 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 66' ' ' GLN . . . -64.78 -43.06 94.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.353 175.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.73 -47.28 82.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.292 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -57.91 -48.2 80.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.529 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 63' ' ' ALA . 5.1 pp0? -72.41 -17.92 61.76 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.064 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.568 ' HB3' HG21 ' B' ' 42' ' ' THR . 57.7 m -82.11 -42.31 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.677 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.5 t -73.42 -31.27 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.169 0.509 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.237 175.425 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -54.7 -41.06 69.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.037 0.446 . . . . 0.0 110.379 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' B' ' 14' ' ' LYS . 23.8 tt0 -50.56 -56.37 12.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.876 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.467 ' O ' HG13 ' B' ' 15' ' ' ILE . 15.7 ttt180 -66.34 -35.81 81.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.298 -173.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.409 ' O ' HG13 ' B' ' 16' ' ' ILE . 87.3 t -60.55 -53.48 48.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -67.11 -30.54 70.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.16 0.505 . . . . 0.0 110.34 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' B' ' 10' ' ' GLU . 28.2 tttt -60.99 -52.41 65.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.526 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 11' ' ' ARG . 79.5 mt -61.21 -43.4 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.649 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 81.1 mt -58.15 -47.87 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.682 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -67.21 -38.76 85.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.342 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.82 -44.86 91.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.935 0.398 . . . . 0.0 109.931 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.428 HD13 HD23 ' A' ' 37' ' ' LEU . 88.9 mt -60.2 -47.51 85.66 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.726 175.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.484 ' O ' HG23 ' B' ' 24' ' ' VAL . 81.0 mt -60.32 -38.35 83.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.278 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -63.09 -42.55 99.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.622 0.249 . . . . 0.0 110.739 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.448 HG11 ' HB3' ' A' ' 18' ' ' ASP . 63.5 t -59.78 -43.02 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.081 0.467 . . . . 0.0 110.179 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.03 -43.06 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.111 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 20' ' ' LEU . 91.7 t -68.3 -37.2 77.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.772 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -58.13 -39.49 78.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.839 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.44 ' HB2' HG13 ' B' ' 28' ' ' VAL . 35.5 mm-40 -86.14 -11.14 53.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.056 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 54.33 49.88 17.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.542 -175.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.44 HG13 ' HB2' ' B' ' 26' ' ' GLU . 33.5 m -68.31 142.11 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.308 -178.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 45.9 p -77.01 160.11 77.0 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.273 175.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.452 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 68.6 Cg_exo -52.52 -40.58 71.78 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 121.941 1.76 . . . . 0.0 111.282 174.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.46 -52.55 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.147 176.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.39 -42.05 93.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.044 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.22 -52.33 65.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 80.8 mt -59.73 -38.17 80.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.149 -178.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttp -66.36 -44.62 82.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.898 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 61.3 m -71.14 -48.9 49.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.541 HD13 HG22 ' A' ' 41' ' ' VAL . 88.8 mt -64.1 -40.13 95.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -178.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.61 -39.5 93.43 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.532 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -70.68 -37.59 73.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.624 0.25 . . . . 0.0 110.815 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.31 86.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.445 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 37' ' ' LEU . 73.7 t -61.52 -49.18 85.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.551 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.568 HG21 ' HB3' ' A' ' 67' ' ' SER . 89.6 m -56.28 -43.92 79.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 178.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.549 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 51.0 t30 -56.16 -38.48 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.12 -178.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 23' ' ' LEU . 63.7 mt -83.11 -41.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.631 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.461 HG21 ' HB ' ' B' ' 57' ' ' VAL . 62.9 mt -64.43 -33.14 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.063 0.459 . . . . 0.0 110.782 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.25 -9.25 57.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.355 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.1 mt-30 -93.62 -6.48 46.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.434 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -88.13 144.83 34.99 Favored Pre-proline 0 N--CA 1.449 -0.476 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -174.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -40.54 119.69 0.8 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.613 2.209 . . . . 0.0 111.414 172.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.568 ' HA ' ' HG2' ' B' ' 53' ' ' ARG . 25.1 tt0 -49.07 -37.66 21.86 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.631 0.582 . . . . 0.0 112.045 -172.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.8 t -57.32 -29.41 63.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.017 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -118.49 -12.26 9.84 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.326 -0.55 . . . . 0.0 112.255 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.568 ' HG2' ' HA ' ' B' ' 50' ' ' GLU . 3.7 ptp180 -65.9 -30.76 71.41 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.364 -0.535 . . . . 0.0 110.1 -178.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 44.3 t -73.26 -32.53 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.272 0.558 . . . . 0.0 110.049 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.89 -45.3 58.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.775 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' B' ' 53' ' ' ARG . 34.6 m -67.49 -31.22 51.74 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.63 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.461 ' HB ' HG21 ' B' ' 45' ' ' ILE . 11.0 p -76.1 -34.73 27.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.917 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.18 -45.72 69.28 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -59.57 -42.46 92.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.174 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -56.81 -59.55 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.419 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.573 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 21.4 p -64.03 -36.62 84.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.654 -176.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 85.0 tttt -63.22 -56.26 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.402 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.36 80.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.624 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.74 -46.66 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.596 ' HG2' HG22 ' A' ' 57' ' ' VAL . 51.8 mtmt -69.14 -25.78 64.55 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.23 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 29.2 mt-30 -69.05 -43.06 75.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.069 0.461 . . . . 0.0 110.345 173.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 m -66.83 -32.78 74.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.668 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.847 177.874 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -57.5 -35.24 69.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 123.166 0.291 . . . . 0.0 110.742 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.15 -52.97 63.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.877 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' HG13 ' A' ' 15' ' ' ILE . 28.4 tpt180 -54.38 -45.18 72.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.928 -177.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 16' ' ' ILE . 51.8 t -62.45 -57.59 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.168 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.94 -32.6 74.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.482 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 13.2 tmtt? -62.94 -49.49 74.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.26 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.419 HD13 HG12 ' B' ' 28' ' ' VAL . 78.9 mt -61.68 -42.66 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.325 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 72.7 mt -60.41 -48.39 88.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.58 176.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -60.47 -40.34 90.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.367 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.2 -42.91 96.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.157 0.504 . . . . 0.0 109.795 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.69 -44.87 95.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.402 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.9 mt -60.22 -38.85 84.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.597 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -57.01 -46.32 82.42 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.544 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 80.7 t -57.55 -44.53 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.625 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.37 -49.45 69.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.219 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 20' ' ' LEU . 57.4 t -65.36 -37.28 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.863 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -67.75 -11.13 57.76 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 111.681 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.641 ' HB2' HG13 ' A' ' 28' ' ' VAL . 79.4 mm-40 -101.34 -7.19 23.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.557 0.217 . . . . 0.0 110.701 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 55.78 40.32 30.74 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.564 -173.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.9 m -64.61 145.61 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.152 0.501 . . . . 0.0 111.575 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 p -83.11 159.52 62.3 Favored Pre-proline 0 N--CA 1.445 -0.678 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 172.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.479 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 9.2 Cg_endo -53.5 -44.81 45.84 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.481 2.121 . . . . 0.0 112.177 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.76 -43.02 90.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.436 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.44 HD11 HG22 ' B' ' 12' ' ' VAL . 61.1 tp -62.49 -45.09 94.61 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.763 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' B' ' 44' ' ' ILE . . . -58.69 -42.81 89.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -178.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 86.0 mt -60.96 -40.74 94.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.2 ttp -64.3 -41.3 96.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.652 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.1 m -70.0 -49.96 46.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.001 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.1 mt -61.09 -41.25 96.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.22 -41.03 92.62 Favored Glycine 0 C--N 1.329 0.159 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.599 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -76.02 -35.21 59.6 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.444 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.03 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 37' ' ' LEU . 58.9 t -60.47 -52.63 59.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.168 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.4 m -59.78 -35.44 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.306 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -60.34 -38.09 82.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.532 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 48' ' ' VAL . 16.0 tt -88.72 -25.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.899 -179.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 41' ' ' VAL . 55.9 mt -65.09 -32.61 59.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 121.271 0.558 . . . . 0.0 110.223 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.39 -16.53 62.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.984 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -86.34 -16.73 36.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.495 0.664 . . . . 0.0 109.842 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 44' ' ' ILE . 24.7 t -86.49 137.6 34.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.977 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.8 146.9 96.7 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.592 2.195 . . . . 0.0 112.523 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.584 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 3.0 mm-40 -54.23 -32.03 54.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.296 -175.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t -50.11 -33.63 19.36 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.578 0.549 . . . . 0.0 112.021 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -127.01 1.0 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.322 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.584 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 42.8 ttm180 -61.64 -45.96 91.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.917 0.389 . . . . 0.0 111.178 -178.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.89 -30.33 32.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.231 0.538 . . . . 0.0 110.304 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.2 -46.01 65.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.173 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.482 ' HB ' ' CD1' ' B' ' 34' ' ' LEU . 26.9 m -65.03 -37.48 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.683 -176.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.8 -33.93 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.772 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -69.37 -43.65 73.14 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.876 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -68.49 -35.66 77.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -61.95 -51.08 69.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.115 0.483 . . . . 0.0 110.283 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.8 p -65.27 -37.55 87.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.198 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -62.33 -49.45 75.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.121 0.486 . . . . 0.0 110.386 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.88 -39.31 84.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.502 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.7 mt -58.44 -55.15 38.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.181 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -55.62 -40.62 72.38 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.005 0.431 . . . . 0.0 111.151 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -68.54 -50.87 48.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.957 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 p -72.54 -28.87 63.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.821 -173.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.6 t -74.31 -49.27 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.599 0.238 . . . . 0.0 111.464 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--N 1.331 -0.211 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.34 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.475 0.178 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -58.31 -44.76 88.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.36 -43.23 95.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.721 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.523 ' O ' HG13 ' B' ' 15' ' ' ILE . 76.2 ttt180 -71.51 -40.04 70.41 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.067 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.458 ' O ' HG13 ' B' ' 16' ' ' ILE . 69.5 t -61.85 -43.79 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.66 -40.15 96.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.406 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' B' ' 11' ' ' ARG . 47.1 tttm -52.65 -55.48 22.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.318 175.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 11' ' ' ARG . 59.0 mt -55.6 -47.63 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.93 -178.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 12' ' ' VAL . 75.9 mt -58.06 -48.73 83.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -68.23 -34.65 76.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.025 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.531 ' O ' HG23 ' B' ' 22' ' ' VAL . 80.1 m-20 -64.94 -41.5 95.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.8 mt -61.34 -46.92 88.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.402 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.437 ' O ' HG23 ' B' ' 24' ' ' VAL . 91.1 mt -61.18 -38.37 86.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.32 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.04 -38.07 87.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.755 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.589 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 98.7 t -65.94 -38.06 81.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.272 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.595 ' HB2' ' CG2' ' B' ' 28' ' ' VAL . 4.0 pp -78.86 -22.11 46.55 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.139 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 20' ' ' LEU . 83.9 t -78.46 -36.01 19.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 171.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.589 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 79.0 tttt -50.73 -46.95 59.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.818 173.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -92.43 -11.2 35.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.602 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.25 66.35 1.25 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.05 -174.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.648 ' HA ' HD23 ' B' ' 32' ' ' LEU . 21.2 m -73.81 142.91 14.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.116 0.484 . . . . 0.0 110.969 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.556 HG22 ' HD2' ' B' ' 30' ' ' PRO . 0.0 OUTLIER -80.06 159.24 71.16 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 173.037 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.556 ' HD2' HG22 ' B' ' 29' ' ' THR . 94.8 Cg_exo -45.95 -52.22 7.32 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.854 2.369 . . . . 0.0 113.276 -178.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.03 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.648 HD23 ' HA ' ' B' ' 28' ' ' VAL . 60.5 tp -62.44 -41.07 98.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -58.34 -53.63 56.08 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.482 ' CD1' ' HB ' ' A' ' 56' ' ' VAL . 88.7 mt -61.54 -42.15 98.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.254 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.8 ttp -61.66 -43.86 98.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.31 . . . . 0.0 110.954 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 63.7 m -70.27 -46.69 63.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 0.0 110.706 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.593 ' O ' HG23 ' B' ' 41' ' ' VAL . 95.9 mt -60.87 -42.34 97.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.017 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.76 -43.8 86.8 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -70.16 -37.83 75.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.663 0.268 . . . . 0.0 110.608 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.06 92.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.858 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 37' ' ' LEU . 59.2 t -61.13 -52.48 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.064 177.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 30.7 m -61.12 -33.48 73.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.7 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -65.15 -37.27 86.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.149 -178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.464 HD13 ' CB ' ' A' ' 33' ' ' ALA . 19.8 tt -90.7 -22.1 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.931 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.439 HG13 ' O ' ' B' ' 41' ' ' VAL . 52.5 mt -67.57 -26.47 35.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.413 0.625 . . . . 0.0 109.518 171.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.74 -19.06 65.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.451 175.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -88.35 -1.54 58.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.219 0.533 . . . . 0.0 109.928 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.405 HG22 ' CB ' ' A' ' 30' ' ' PRO . 42.6 t -97.63 127.11 38.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.561 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -51.53 132.79 41.8 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.643 2.229 . . . . 0.0 111.715 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.56 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 3.0 mp0 -51.34 -31.36 21.63 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -174.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -52.66 -39.02 61.44 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.342 0.401 . . . . 0.0 111.513 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -114.52 -1.33 13.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.743 0.306 . . . . 0.0 110.745 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.56 ' HB3' ' HA ' ' B' ' 50' ' ' GLU . 40.4 ttm180 -62.71 -44.06 97.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.643 -178.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.15 -36.72 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.175 0.512 . . . . 0.0 110.182 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.27 -46.12 65.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.575 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.429 ' HB ' ' CD1' ' A' ' 34' ' ' LEU . 27.2 m -67.72 -39.14 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -175.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 p -70.91 -32.84 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.708 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -70.38 -48.3 56.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.624 0.249 . . . . 0.0 110.565 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -65.28 -29.75 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.237 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -61.69 -53.19 59.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 45.3 p -64.46 -33.83 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.818 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -62.49 -47.87 82.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 174.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.93 77.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.501 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.434 ' O ' HG23 ' B' ' 68' ' ' VAL . 73.9 mt -60.97 -58.6 7.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.948 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -59.12 -38.48 79.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.68 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -56.4 -60.13 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.266 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.3 m -63.16 -38.32 90.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.875 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 64' ' ' LEU . 71.3 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.898 0.38 . . . . 0.0 110.845 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.3 t . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.473 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 55.2 m-80 -58.09 -40.47 81.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.981 -177.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -56.46 -42.3 77.95 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.967 0.413 . . . . 0.0 110.877 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 15' ' ' ILE . 45.6 ttt180 -73.35 -36.97 66.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.502 -177.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 8' ' ' SER . 96.5 t -60.0 -46.09 94.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.362 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 9' ' ' ASN . 65.2 mt-10 -60.66 -37.29 81.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.441 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -66.25 -45.2 81.43 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.846 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 11' ' ' ARG . 71.6 mt -61.2 -45.74 98.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.916 0.389 . . . . 0.0 110.223 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.87 -46.64 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.647 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -62.67 -48.43 79.32 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.28 -44.42 79.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.282 0.364 . . . . 0.0 111.073 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD13 HD23 ' B' ' 37' ' ' LEU . 97.3 mt -62.82 -46.36 88.32 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 24' ' ' VAL . 86.9 mt -63.88 -37.04 85.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.66 -44.83 73.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.2 t -62.07 -46.47 96.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.758 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 HD21 ' A' ' 37' ' ' LEU . 91.5 mt -62.3 -44.84 95.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.045 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 20' ' ' LEU . 92.1 t -69.03 -37.25 76.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.385 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -56.8 -42.88 80.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.746 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -82.65 -12.26 57.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.76 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 56.55 47.6 18.28 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.204 0.526 . . . . 0.0 110.151 -174.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.12 137.05 25.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.624 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.5 155.21 81.52 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.73 173.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.454 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 84.0 Cg_exo -45.5 -51.18 8.34 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.983 2.455 . . . . 0.0 112.931 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.4 -47.3 85.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.285 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.56 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.802 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.79 -51.05 70.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.357 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.2 mt -59.28 -43.83 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.894 -178.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.0 ttp -61.99 -37.74 85.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.457 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.498 ' HA ' HG12 ' B' ' 16' ' ' ILE . 64.6 m -77.14 -46.94 21.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.9 mt -60.67 -52.82 63.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.192 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.64 -35.43 89.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.733 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -66.99 -44.3 80.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.109 0.481 . . . . 0.0 110.21 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -64.88 -43.66 92.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.574 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 37' ' ' LEU . 84.9 t -62.1 -46.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 t -69.52 -20.76 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.136 0.493 . . . . 0.0 110.954 -173.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -82.98 -31.04 27.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.187 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 40' ' ' ALA . 45.4 mm -72.49 -38.59 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.039 0.447 . . . . 0.0 110.372 178.11 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.76 -16.88 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.378 0.608 . . . . 0.0 110.727 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.589 ' HA ' HH11 ' A' ' 53' ' ' ARG . . . -74.13 -9.8 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.025 178.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -100.1 6.87 44.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.304 0.573 . . . . 0.0 110.009 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.0 t -102.93 124.36 38.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.802 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -52.23 133.7 48.36 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.787 2.324 . . . . 0.0 112.813 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.526 ' HG2' HH21 ' A' ' 53' ' ' ARG . 5.4 mm-40 -44.34 -34.27 1.91 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.6 t -55.68 -26.36 44.47 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.773 0.32 . . . . 0.0 111.244 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -130.8 1.07 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.389 176.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.589 HH11 ' HA ' ' A' ' 46' ' ' ALA . 12.8 ttm-85 -63.13 -47.51 82.46 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.963 0.411 . . . . 0.0 110.21 -178.114 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.9 -29.9 47.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.292 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.0 41.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.85 -35.98 72.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.89 -36.19 72.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.658 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -72.11 -44.21 63.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.09 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.07 -38.74 80.15 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.545 176.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.49 -53.31 59.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.302 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.462 HG22 HG22 ' B' ' 61' ' ' THR . 30.8 p -67.76 -34.51 76.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.476 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -66.37 -43.88 84.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.513 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.68 95.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.867 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 68' ' ' VAL . 43.6 mt -57.06 -49.53 75.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.546 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -60.57 -35.17 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.035 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -66.84 -51.74 51.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.362 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.44 ' HB2' HG21 ' B' ' 42' ' ' THR . 26.1 p -69.98 -8.58 50.21 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 64' ' ' LEU . 69.9 t -88.91 -40.81 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.837 0.351 . . . . 0.0 110.264 172.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.962 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -53.45 -44.07 68.59 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.33 0.394 . . . . 0.0 111.527 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.36 -35.12 71.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.41 ' O ' HG13 ' B' ' 15' ' ' ILE . 78.1 ttt180 -74.59 -39.93 61.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.482 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.4 t -55.89 -51.46 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.52 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.5 -29.86 70.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.837 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -63.31 -41.76 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.052 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 72.6 mt -64.75 -45.02 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.061 178.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.498 HG12 ' HA ' ' A' ' 36' ' ' CYS . 71.5 mt -58.33 -45.29 89.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.342 176.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -65.51 -37.49 86.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.336 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.4 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.0 t70 -63.76 -40.96 97.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.855 0.359 . . . . 0.0 110.18 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 86.8 mt -60.42 -41.62 94.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.214 0.53 . . . . 0.0 109.88 175.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.03 -41.97 99.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.795 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.76 -41.72 96.04 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 18' ' ' ASP . 93.9 t -59.77 -41.04 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.034 0.445 . . . . 0.0 110.334 177.155 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.511 HD22 HG21 ' B' ' 28' ' ' VAL . 85.7 mt -68.28 -42.34 79.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.086 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 86.8 t -69.6 -34.81 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.713 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -55.61 -43.33 75.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.787 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.533 ' HB2' HG13 ' B' ' 28' ' ' VAL . 72.0 mm-40 -90.89 -12.58 35.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.625 -178.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 57.86 47.53 15.09 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -175.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.533 HG13 ' HB2' ' B' ' 26' ' ' GLU . 33.2 m -70.53 147.97 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.974 -174.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.422 HG23 ' H ' ' B' ' 32' ' ' LEU . 4.4 t -84.76 147.93 50.06 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.596 174.137 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.428 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 60.9 Cg_exo -41.24 -46.43 5.51 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.721 2.947 . . . . 0.0 113.795 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -58.08 -48.65 79.49 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.119 0.485 . . . . 0.0 110.975 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.422 ' H ' HG23 ' B' ' 29' ' ' THR . 62.5 tp -65.87 -39.11 90.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.577 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.72 -51.03 70.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.942 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 91.8 mt -59.2 -42.69 91.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.557 -177.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttp -62.92 -43.03 99.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.019 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 61.9 m -72.98 -47.07 48.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.035 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.561 ' O ' HG23 ' B' ' 41' ' ' VAL . 95.4 mt -63.39 -47.79 80.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.73 -32.07 82.33 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.187 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -68.2 -41.66 81.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 109.71 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.407 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -63.63 -43.67 96.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.856 177.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 37' ' ' LEU . 60.5 t -56.62 -45.3 82.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.303 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.44 HG21 ' HB2' ' A' ' 67' ' ' SER . 91.2 m -58.96 -41.12 86.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.216 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -67.52 -29.58 69.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.037 0.446 . . . . 0.0 110.662 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.407 HG12 ' O ' ' B' ' 40' ' ' ALA . 47.9 mm -74.93 -46.72 39.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.717 177.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.04 -32.48 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.075 0.464 . . . . 0.0 111.195 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.7 -26.24 68.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.328 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -87.03 -3.75 59.11 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -87.57 146.18 38.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.554 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.84 134.61 63.74 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 121.991 1.794 . . . . 0.0 112.065 173.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.587 ' HA ' ' HD3' ' B' ' 53' ' ' ARG . 20.1 tt0 -58.27 -26.19 62.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.445 -175.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 35.3 t -54.14 -29.84 46.74 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.733 0.301 . . . . 0.0 111.38 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.421 ' O ' HG22 ' B' ' 56' ' ' VAL . 0.1 OUTLIER -124.57 20.58 8.64 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.371 -0.206 . . . . 0.0 110.918 -179.482 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.587 ' HD3' ' HA ' ' B' ' 50' ' ' GLU . 0.0 OUTLIER -63.96 -45.16 90.39 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.0 0.429 . . . . 0.0 111.844 -175.222 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.32 -30.41 15.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.13 87.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.137 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.421 HG22 ' O ' ' B' ' 52' ' ' LYS . 17.1 m -65.74 -38.63 82.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -178.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.7 p -76.87 -34.22 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.946 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -45.2 80.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.583 0.23 . . . . 0.0 110.806 177.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.81 -42.32 99.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 110.565 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.56 -53.05 62.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.342 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.462 HG22 HG22 ' A' ' 61' ' ' THR . 29.1 p -65.69 -43.25 89.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.482 -176.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 52.4 tttp -56.55 -55.27 35.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.77 76.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.129 -176.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 tt -70.39 -41.4 73.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.244 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' B' ' 61' ' ' THR . 68.3 mttm -57.99 -48.31 80.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.038 0.447 . . . . 0.0 110.486 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 91.4 mt-30 -62.09 -41.54 98.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.194 -177.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.0 m -68.71 -26.32 65.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.584 -176.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 74.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.433 176.542 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 120.773 0.32 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -57.61 -42.61 83.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.57 -176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.03 -40.45 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.177 0.298 . . . . 0.0 111.133 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.537 ' O ' HG13 ' A' ' 15' ' ' ILE . 53.5 ttt85 -64.85 -47.95 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.292 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 16' ' ' ILE . 40.4 t -60.31 -45.39 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 110.13 178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -56.83 -45.12 82.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.731 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -62.54 -43.44 98.81 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.081 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 11' ' ' ARG . 76.5 mt -58.02 -42.63 83.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.835 0.35 . . . . 0.0 110.205 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 12' ' ' VAL . 68.1 mt -59.89 -46.16 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.295 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -64.0 -40.75 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.918 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.67 -41.14 94.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.981 0.419 . . . . 0.0 110.76 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.54 HD13 HD23 ' B' ' 37' ' ' LEU . 79.1 mt -62.8 -41.18 99.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.084 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 98.1 mt -65.21 -35.68 81.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.509 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.86 -41.17 77.48 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.253 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.23 -45.94 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.716 176.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.66 -39.56 91.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.253 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.0 t -74.7 -30.38 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.741 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -59.6 -43.42 93.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.179 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -90.13 -16.9 28.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.762 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 56.53 54.67 7.2 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.588 0.709 . . . . 0.0 110.62 -174.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.72 156.65 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.157 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.7 p -79.0 159.75 72.71 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.565 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 70.7 Cg_exo -52.3 -40.38 70.35 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.203 1.936 . . . . 0.0 111.7 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -65.96 -50.18 65.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.839 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.6 tp -59.63 -38.11 80.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.43 77.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.625 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 85.8 mt -62.29 -43.99 97.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.03 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 52.9 ttp -63.31 -41.45 98.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.291 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.0 m -72.69 -49.52 30.89 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.955 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.1 mt -63.13 -50.41 70.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.16 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.17 -36.05 91.79 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.359 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 35' ' ' MET . 14.8 t-20 -67.96 -41.55 82.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.177 0.513 . . . . 0.0 109.815 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.38 93.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.767 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.6 t -58.36 -45.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.189 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.2 m -57.96 -42.96 86.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.931 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -61.26 -36.96 81.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.203 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.52 -46.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.832 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.533 HG21 ' HB ' ' A' ' 57' ' ' VAL . 73.0 mt -63.73 -29.15 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.033 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.12 -22.49 66.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.183 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -86.98 -3.32 59.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 110.624 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.715 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 48.0 t -85.66 136.66 36.74 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.44 133.55 43.57 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.087 1.858 . . . . 0.0 113.014 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.527 ' CD ' HH21 ' A' ' 53' ' ' ARG . 5.4 tp10 -32.99 -52.02 0.32 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.314 -1.312 . . . . 0.0 113.546 -179.389 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -55.13 -31.47 61.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.292 -172.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.7 6.75 10.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.944 0.402 . . . . 0.0 110.714 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.715 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 23.0 ttp180 -81.83 -37.6 26.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.147 -173.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.19 -35.97 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.311 0.576 . . . . 0.0 110.082 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.71 -49.42 68.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.432 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.37 -37.85 80.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -175.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.533 ' HB ' HG21 ' A' ' 45' ' ' ILE . 11.1 p -70.28 -36.28 66.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 120.753 0.311 . . . . 0.0 111.374 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -77.54 -40.74 41.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.346 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -62.17 -39.85 94.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.476 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -54.47 -57.55 10.9 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.573 0.701 . . . . 0.0 110.263 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.6 HG22 HG22 ' B' ' 61' ' ' THR . 4.0 p -68.66 -35.1 76.79 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.941 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -66.44 -46.79 75.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 110.393 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.92 -30.94 71.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 tt -69.38 -41.19 76.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.225 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.554 ' HD2' HG22 ' B' ' 57' ' ' VAL . 10.9 mmmm -57.6 -44.3 85.34 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.074 0.464 . . . . 0.0 109.967 175.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.06 -42.74 84.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.244 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 p -77.41 -3.82 42.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.441 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.2 t -95.26 -30.86 4.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.955 0.407 . . . . 0.0 110.234 170.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 94.8 mt . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.462 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.415 ' O ' HG23 ' B' ' 12' ' ' VAL . 2.6 p . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -58.06 -37.53 74.61 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.697 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.18 -33.54 74.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.522 ' O ' HG13 ' B' ' 15' ' ' ILE . 68.8 ttt180 -76.81 -45.78 27.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.277 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 8' ' ' SER . 94.1 t -57.19 -46.91 84.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.947 0.403 . . . . 0.0 110.569 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.82 -39.75 90.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.233 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -64.77 -41.48 95.83 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.165 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.7 mt -62.78 -49.21 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.986 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.422 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 68.9 mt -58.63 -44.2 89.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.23 0.538 . . . . 0.0 110.503 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -64.19 -43.89 93.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.586 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.465 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.5 t70 -60.79 -42.75 98.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.785 -177.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.79 -43.1 90.37 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.279 0.561 . . . . 0.0 110.336 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 24' ' ' VAL . 99.2 mt -61.17 -45.8 93.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.123 177.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -56.43 -35.67 68.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.246 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 77.1 t -63.83 -47.85 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.334 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.417 ' C ' HD12 ' B' ' 23' ' ' LEU . 4.2 pp -78.4 -16.51 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.359 -178.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 20' ' ' LEU . 25.6 t -71.48 -40.21 71.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.642 176.058 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 14.9 pttm -74.43 -22.97 58.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.413 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 39.2 mm-40 -83.6 -23.95 31.7 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.935 174.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 58.67 61.25 2.26 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.841 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.17 149.15 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.295 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.487 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 31.8 p -90.08 168.13 15.31 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.362 174.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.487 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 77.7 Cg_exo -51.0 -47.01 27.64 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.295 1.997 . . . . 0.0 111.916 177.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.07 -46.71 88.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.617 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 48.4 tp -69.74 -39.59 76.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.01 -175.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.6 -50.89 72.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.95 -40.85 98.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.031 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 44.1 ttp -66.72 -41.1 88.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.823 -175.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 21.2 p -76.61 -43.54 38.05 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.858 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 19' ' ' LEU . 92.5 mt -62.53 -41.15 98.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.601 0.239 . . . . 0.0 111.091 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.23 -43.53 97.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.637 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.579 ' HA ' HG22 ' B' ' 42' ' ' THR . 31.9 m-80 -73.2 -23.69 60.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.254 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.99 -32.41 69.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.964 0.411 . . . . 0.0 110.26 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 37' ' ' LEU . 66.0 t -77.28 -45.84 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.769 -177.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.579 HG22 ' HA ' ' B' ' 39' ' ' ASN . 7.8 t -60.49 -33.77 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.93 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -64.77 -32.74 74.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.84 0.352 . . . . 0.0 110.533 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -79.58 -48.26 21.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.809 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.455 HG22 ' HG3' ' B' ' 53' ' ' ARG . 58.5 mt -67.03 -28.51 43.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.482 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.5 -12.5 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -91.35 -13.55 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.351 0.596 . . . . 0.0 110.025 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 47.6 t -81.62 133.79 52.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.607 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.728 ' HB2' ' HD3' ' B' ' 52' ' ' LYS . 84.6 Cg_exo -46.74 130.2 15.09 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.08 2.52 . . . . 0.0 112.601 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.632 ' HG2' ' CZ ' ' B' ' 53' ' ' ARG . 22.1 mt-10 -56.75 -31.65 64.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.989 -173.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -56.43 -28.23 58.89 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.466 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.728 ' HD3' ' HB2' ' B' ' 49' ' ' PRO . 0.0 OUTLIER -125.11 4.14 7.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.801 0.334 . . . . 0.0 110.874 177.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.632 ' CZ ' ' HG2' ' B' ' 50' ' ' GLU . 42.5 ttm180 -64.68 -35.31 80.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.382 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 48.8 t -64.26 -34.69 70.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.764 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.34 -47.89 53.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.327 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.84 -37.08 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -176.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.554 HG22 ' HD2' ' A' ' 65' ' ' LYS . 12.7 p -70.64 -35.48 61.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 110.739 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.81 -45.75 67.22 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -57.38 -44.69 84.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.045 176.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.443 ' CE2' HG11 ' B' ' 41' ' ' VAL . 87.9 t80 -57.32 -54.3 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.582 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.6 HG22 HG22 ' A' ' 61' ' ' THR . 10.2 p -68.21 -35.4 77.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.558 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -61.17 -54.57 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 174.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.22 -33.74 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.15 -49.19 68.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.44 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' B' ' 61' ' ' THR . 62.0 mttm -57.54 -45.97 84.45 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.19 0.519 . . . . 0.0 109.779 176.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -57.5 -49.59 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.348 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.0 m -68.24 -39.25 82.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.75 -174.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 69.4 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.661 0.267 . . . . 0.0 111.193 -178.688 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.6 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -58.49 -34.43 70.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.668 0.271 . . . . 0.0 110.449 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -64.85 -30.16 71.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.821 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 15' ' ' ILE . 54.6 ttt180 -76.77 -35.95 57.37 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 16' ' ' ILE . 60.8 t -58.74 -47.93 87.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 176.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.533 177.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -69.05 -47.88 64.23 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.739 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 11' ' ' ARG . 77.6 mt -58.58 -38.38 70.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.804 0.335 . . . . 0.0 110.663 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.49 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 73.6 mt -62.81 -41.18 91.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.081 175.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -66.33 -43.1 87.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.86 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -54.17 -48.88 70.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.05 0.452 . . . . 0.0 110.25 175.296 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 90.1 mt -64.76 -45.28 87.04 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.094 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 71.9 mt -61.57 -34.43 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.833 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.58 ' HA ' HG12 ' A' ' 24' ' ' VAL . 17.9 t70 -63.46 -40.99 98.59 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.395 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' B' ' 18' ' ' ASP . 61.1 t -58.02 -40.19 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.508 0.671 . . . . 0.0 110.455 176.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.504 HD22 HG21 ' A' ' 28' ' ' VAL . 84.2 mt -74.52 -37.08 63.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.398 -178.003 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.58 HG12 ' HA ' ' A' ' 21' ' ' ASP . 2.3 p -77.17 -23.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.339 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 56.4 mttp -52.13 -47.19 65.48 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.242 0.544 . . . . 0.0 109.764 170.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.53 ' HG3' HG12 ' B' ' 15' ' ' ILE . 8.4 mm-40 -98.85 -10.84 22.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.969 -173.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 52.76 53.36 12.28 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.25 0.548 . . . . 0.0 109.803 -172.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.504 HG21 HD22 ' A' ' 23' ' ' LEU . 34.3 m -61.74 148.76 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.166 -174.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.436 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 40.9 p -81.94 164.77 47.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.651 174.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.451 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 71.1 Cg_exo -50.51 -47.33 25.16 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.432 2.088 . . . . 0.0 112.696 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -66.8 -41.76 87.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.836 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' CD1' HG22 ' B' ' 12' ' ' VAL . 50.6 tp -66.36 -42.42 88.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.482 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.64 -55.37 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.105 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.514 HD22 HG13 ' B' ' 41' ' ' VAL . 72.7 mt -64.11 -37.35 87.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.158 -175.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.9 ttp -64.98 -42.43 94.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.933 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.3 m -67.34 -43.68 80.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.46 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.3 mt -61.44 -44.66 96.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.73 -43.07 86.66 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.003 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -67.89 -38.38 82.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.707 0.289 . . . . 0.0 110.623 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.42 -46.27 89.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.768 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 37' ' ' LEU . 54.6 t -60.64 -48.18 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.627 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.1 m -58.85 -37.39 76.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.7 -39.01 92.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.561 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -70.85 -44.9 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.514 HG21 ' HB ' ' A' ' 57' ' ' VAL . 62.2 mt -67.2 -23.95 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.357 0.599 . . . . 0.0 111.059 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.483 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -73.06 -10.39 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.281 178.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -97.38 0.28 47.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.221 0.534 . . . . 0.0 110.461 178.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.544 ' HB ' ' HG3' ' A' ' 53' ' ' ARG . 25.9 t -93.13 132.65 30.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.835 -177.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -61.93 129.24 26.74 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.356 2.037 . . . . 0.0 111.845 174.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HG2' ' H ' ' A' ' 50' ' ' GLU . 11.3 mm-40 -33.17 -44.99 0.13 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.517 1.127 . . . . 0.0 113.891 177.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 t -51.04 -23.15 2.78 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.536 0.523 . . . . 0.0 111.866 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.455 ' HG3' ' CG1' ' A' ' 48' ' ' VAL . 20.9 ptmt -135.26 1.96 2.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.198 176.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.544 ' HG3' ' HB ' ' A' ' 48' ' ' VAL . 20.7 ttm-85 -71.94 -40.95 68.35 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.104 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.3 t -70.71 -34.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.216 0.532 . . . . 0.0 109.841 -178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.33 68.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.341 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.3 m -68.06 -37.29 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.746 HG22 ' HG2' ' B' ' 65' ' ' LYS . 10.1 p -70.7 -39.2 75.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.092 -177.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.56 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 7.2 t70 -74.13 -36.55 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.38 -39.91 92.41 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.259 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -59.13 -49.84 76.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.194 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.579 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 65.5 p -67.46 -29.09 68.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.015 -179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -67.18 -51.34 54.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.738 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.47 77.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 68' ' ' VAL . 22.5 mt -58.2 -55.8 30.33 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.234 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' HD13 ' A' ' 69' ' ' LEU . 97.1 mttt -64.97 -27.54 68.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.883 0.373 . . . . 0.0 111.082 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -71.06 -39.93 71.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.821 0.344 . . . . 0.0 110.58 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 p -80.81 -36.45 31.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.258 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 64' ' ' LEU . 71.2 t -66.01 -28.31 43.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 120.931 0.396 . . . . 0.0 110.906 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 65' ' ' LYS . 9.8 mp . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 121.014 0.435 . . . . 0.0 110.666 174.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.45 ' O ' HG23 ' B' ' 12' ' ' VAL . 26.1 t . . . . . 0 C--O 1.237 0.411 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -61.41 -35.34 77.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -54.18 -48.74 70.62 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.353 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.61 ' O ' HG13 ' B' ' 15' ' ' ILE . 60.1 ttt180 -65.07 -42.78 93.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.51 -177.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 8' ' ' SER . 61.6 t -58.28 -51.63 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.218 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -62.04 -34.73 76.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.593 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' B' ' 14' ' ' LYS . 37.9 ttmt -70.8 -37.94 73.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.961 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.61 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.5 mt -62.7 -45.65 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.077 0.465 . . . . 0.0 110.232 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.53 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 64.6 mt -57.39 -38.24 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.283 177.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -67.88 -42.66 80.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.106 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.425 ' HB3' HG13 ' A' ' 22' ' ' VAL . 4.2 t70 -63.6 -35.35 80.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.103 0.477 . . . . 0.0 109.813 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.97 -43.67 95.04 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.366 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 97.7 mt -63.65 -43.12 97.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.713 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -50.56 -44.21 56.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.005 0.431 . . . . 0.0 110.602 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.87 -48.97 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.213 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.49 -43.85 96.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.435 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -71.89 -29.46 33.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.676 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -61.26 -38.36 86.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.463 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.672 ' HB2' HG13 ' B' ' 28' ' ' VAL . 52.0 mm-40 -87.99 -19.15 27.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.488 -177.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 60.79 41.9 14.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -173.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.672 HG13 ' HB2' ' B' ' 26' ' ' GLU . 29.5 m -58.3 145.54 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.935 -173.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.566 HG22 ' HD2' ' B' ' 30' ' ' PRO . 0.2 OUTLIER -80.28 148.77 67.79 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.003 173.309 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.6 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 80.5 Cg_exo -46.82 -48.91 13.22 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.724 2.283 . . . . 0.0 113.012 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.28 -44.48 95.33 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.101 0.477 . . . . 0.0 110.62 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.0 tp -64.83 -44.27 90.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.71 83.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.817 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 83.5 mt -61.01 -42.63 98.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.095 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.521 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 53.3 ttp -64.72 -43.2 94.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 70.8 m -73.7 -44.47 56.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.498 0.189 . . . . 0.0 111.392 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.502 ' O ' HG23 ' B' ' 41' ' ' VAL . 95.4 mt -66.73 -46.59 74.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.551 0.215 . . . . 0.0 111.083 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.2 -32.86 85.59 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.261 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' B' ' 35' ' ' MET . 11.0 t-20 -66.94 -34.73 78.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.379 0.609 . . . . 0.0 110.018 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.29 -30.42 66.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.108 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.514 HG13 HD22 ' A' ' 34' ' ' LEU . 91.5 t -68.34 -48.46 72.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.882 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' THR . . . . . 0.401 HG22 ' HA ' ' B' ' 39' ' ' ASN . 15.3 t -71.65 -19.13 62.14 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.92 -176.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -69.84 -43.83 71.15 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.23 -41.75 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.61 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.34 -25.67 35.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.411 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.73 -16.78 61.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.879 0.371 . . . . 0.0 111.159 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -85.81 -24.54 26.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.521 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.537 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 35.6 m -95.42 161.73 26.92 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.254 178.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' B' ' 48' ' ' VAL . 38.6 Cg_endo -67.53 153.42 76.49 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.81 2.34 . . . . 0.0 112.813 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.96 -30.43 61.71 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.102 -177.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -60.27 -16.17 31.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.518 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -112.66 -22.38 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.107 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' B' ' 49' ' ' PRO . 99.1 mtt180 -59.16 -59.71 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.822 -175.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.1 -36.93 77.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.239 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.13 -53.84 43.21 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.846 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.25 -46.71 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.638 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.92 -35.86 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.79 -175.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' B' ' 62' ' ' LYS . 38.6 t70 -70.42 -39.37 74.45 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.576 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -69.78 -40.7 75.89 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.237 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.18 -53.8 53.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.102 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.579 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 28.2 p -64.29 -44.28 92.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.606 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 58' ' ' ASP . 11.7 ttmm -58.64 -53.27 60.23 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.89 178.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.09 93.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.2 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 68' ' ' VAL . 2.1 mt -50.81 -58.77 5.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.381 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.746 ' HG2' HG22 ' A' ' 57' ' ' VAL . 53.3 mtmt -65.92 -36.39 83.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.563 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.431 ' HA ' ' OE1' ' B' ' 66' ' ' GLN . 15.7 mm-40 -68.93 -39.42 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.685 0.279 . . . . 0.0 111.119 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 24.8 m -68.47 -34.69 76.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.921 0.391 . . . . 0.0 110.703 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 64' ' ' LEU . 78.6 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.461 176.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 12' ' ' VAL . 43.7 t . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.96 -35.27 74.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.019 0.438 . . . . 0.0 110.641 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 9.1 mp0 -61.69 -36.69 81.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.1 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -72.67 -36.87 68.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.161 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 8' ' ' SER . 58.2 t -61.11 -50.16 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.087 176.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -56.39 -35.39 67.69 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.038 177.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -64.59 -51.71 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 178.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.429 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 78.5 mt -62.23 -38.89 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -176.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.503 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 79.8 mt -59.74 -42.11 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 110.005 175.104 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -62.42 -45.86 91.21 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.533 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -60.54 -40.67 92.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.487 HD13 HD23 ' B' ' 37' ' ' LEU . 96.8 mt -67.59 -40.29 84.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 178.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 93.5 mt -61.86 -39.42 91.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.185 177.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -34.39 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.219 178.041 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.03 -47.64 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.277 0.56 . . . . 0.0 110.064 174.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.28 -42.94 99.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.914 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.94 -36.51 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.048 0.451 . . . . 0.0 110.993 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -62.11 -31.36 71.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.287 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.623 ' HB2' HG13 ' A' ' 28' ' ' VAL . 54.0 mm-40 -98.0 -16.75 19.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.264 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.81 43.44 25.05 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.118 0.485 . . . . 0.0 110.498 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.623 HG13 ' HB2' ' A' ' 26' ' ' GLU . 26.8 m -64.63 137.54 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.879 -176.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.7 p -78.41 162.25 66.91 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.127 175.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.477 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 83.8 Cg_exo -46.25 -56.88 2.56 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.072 2.515 . . . . 0.0 113.296 -178.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.03 -45.86 86.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.87 -44.23 93.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.696 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.09 86.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.266 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.9 mt -59.58 -44.62 93.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 -178.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.8 ttp -64.61 -30.01 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.199 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.547 ' HA ' HG12 ' B' ' 16' ' ' ILE . 64.0 m -82.32 -47.9 11.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.861 0.362 . . . . 0.0 110.954 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.592 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.5 mt -63.92 -50.27 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.508 -177.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.69 -30.7 78.44 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.51 -42.37 74.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.143 0.496 . . . . 0.0 109.797 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.87 95.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.646 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 37' ' ' LEU . 57.6 t -58.77 -52.05 64.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.089 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.8 m -60.24 -35.71 76.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.325 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -64.41 -38.48 91.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.344 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.8 tt -85.11 -25.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.181 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 41' ' ' VAL . 72.3 mt -64.93 -30.54 50.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.143 0.497 . . . . 0.0 109.766 173.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.55 -8.13 55.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.076 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -92.08 -9.78 41.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.455 0.645 . . . . 0.0 109.319 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.0 t -92.98 139.79 23.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.387 177.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.63 139.48 47.81 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.757 2.305 . . . . 0.0 112.504 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.532 ' HA ' ' HG3' ' A' ' 53' ' ' ARG . 43.6 mt-10 -56.36 -26.48 52.9 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.06 -177.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 t -48.08 -40.83 24.47 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.48 0.488 . . . . 0.0 111.374 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -123.37 15.51 9.7 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.532 ' HG3' ' HA ' ' A' ' 50' ' ' GLU . 94.2 mtt180 -61.06 -40.85 95.23 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.922 0.391 . . . . 0.0 110.638 178.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -69.48 -38.37 76.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.434 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.93 79.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.544 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.13 -37.53 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.8 p -75.18 -32.72 26.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.136 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.17 -33.73 61.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.843 0.354 . . . . 0.0 110.455 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -69.5 -32.79 71.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.994 0.426 . . . . 0.0 110.276 174.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.38 -50.34 65.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.923 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.7 p -65.52 -31.78 73.03 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -57.81 -57.16 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.754 174.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.2 88.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.462 -177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.4 mt -55.78 -57.27 12.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.301 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -56.92 -39.14 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -70.43 -34.51 72.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.694 -176.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 t -89.1 -10.91 45.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.84 0.352 . . . . 0.0 111.321 -176.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.3 t -92.92 -44.53 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.899 177.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.188 178.228 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.44 ' O ' HG23 ' B' ' 12' ' ' VAL . 16.8 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -60.0 -41.63 92.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -173.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.82 -40.96 76.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.32 176.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.575 ' O ' HG13 ' B' ' 15' ' ' ILE . 78.1 ttt180 -68.84 -42.74 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.518 178.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 8' ' ' SER . 96.6 t -55.23 -46.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.923 0.392 . . . . 0.0 110.481 178.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -65.37 -35.47 81.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.01 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -69.88 -26.14 64.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.004 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.575 HG13 ' O ' ' B' ' 11' ' ' ARG . 79.1 mt -68.64 -47.01 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.547 HG12 ' HA ' ' A' ' 36' ' ' CYS . 52.5 mt -58.94 -44.75 91.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.854 174.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.482 ' HA ' HD12 ' B' ' 20' ' ' LEU . 18.3 tm0? -67.44 -32.06 72.67 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.413 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.55 -35.89 78.04 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 85.3 mt -61.42 -45.65 93.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.605 172.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' B' ' 17' ' ' GLN . 85.5 mt -62.14 -36.95 83.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.661 177.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.449 ' HA ' HG12 ' B' ' 24' ' ' VAL . 26.2 t70 -63.79 -35.91 82.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.737 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 93.3 t -73.32 -37.26 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.085 0.469 . . . . 0.0 110.114 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.565 HD22 HG21 ' B' ' 28' ' ' VAL . 90.8 mt -63.12 -39.46 94.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.631 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' B' ' 21' ' ' ASP . 10.4 p -83.73 -25.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.707 0.289 . . . . 0.0 110.38 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -53.7 -47.58 70.35 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.1 0.476 . . . . 0.0 110.487 172.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.51 -10.97 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.406 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 54.11 66.93 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.51 -173.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.565 HG21 HD22 ' B' ' 23' ' ' LEU . 19.8 m -76.94 173.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.602 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.52 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 25.6 p -111.37 166.99 9.73 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.76 176.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.52 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 7.1 Cg_endo -50.35 -49.75 15.54 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.768 2.312 . . . . 0.0 112.419 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.17 -51.22 65.02 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.677 0.751 . . . . 0.0 110.363 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -67.87 -39.21 83.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.827 -173.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.37 -50.18 70.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.182 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.45 -44.61 92.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.726 0.298 . . . . 0.0 111.163 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 42.7 ttp -63.96 -38.41 90.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.44 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m -77.09 -47.66 19.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.673 0.273 . . . . 0.0 110.999 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.609 ' O ' HG23 ' B' ' 41' ' ' VAL . 94.8 mt -61.95 -49.62 75.4 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.998 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.84 -31.43 75.85 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.412 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.81 -45.27 78.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.235 0.54 . . . . 0.0 109.7 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.87 95.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.742 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 37' ' ' LEU . 55.7 t -58.03 -49.99 79.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 121.177 0.513 . . . . 0.0 109.83 177.063 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.1 m -63.3 -33.26 75.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.145 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -63.47 -48.29 78.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.742 177.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.36 -41.85 93.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.239 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 41' ' ' VAL . 69.6 mt -62.89 -31.39 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.237 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.92 -14.31 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.873 0.368 . . . . 0.0 111.247 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -93.38 -3.03 54.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.554 0.693 . . . . 0.0 110.128 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.515 ' O ' ' HD3' ' B' ' 53' ' ' ARG . 48.6 t -85.53 140.63 36.05 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.578 178.175 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.86 145.66 90.74 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.091 1.86 . . . . 0.0 112.028 175.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLU . . . . . 0.446 ' CD ' HH21 ' B' ' 53' ' ' ARG . 5.2 tp10 -55.91 -32.45 63.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.379 -170.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 31.0 t -55.65 -47.78 76.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.418 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.433 ' HG3' ' CG1' ' B' ' 48' ' ' VAL . 18.2 ptpt -106.34 -1.8 22.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.357 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ARG . . . . . 0.515 ' HD3' ' O ' ' B' ' 48' ' ' VAL . 24.5 ttp180 -62.0 -37.56 85.3 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 111.525 -175.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.15 -35.39 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.468 0.651 . . . . 0.0 110.016 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.72 -44.95 72.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.565 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.08 -39.05 84.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.449 ' HB ' HD13 ' B' ' 45' ' ' ILE . 7.2 p -70.87 -36.54 64.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.698 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.25 -44.59 71.64 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.57 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -61.58 -37.03 82.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.231 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.59 -54.54 44.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.156 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 41.4 p -63.11 -36.55 83.98 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.254 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -63.06 -49.31 75.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.467 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.67 88.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.147 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -56.19 -54.55 43.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.333 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -56.92 -42.56 80.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.008 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -69.24 -32.91 72.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.344 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.8 m -79.24 -23.32 43.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.71 -177.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 120.907 0.384 . . . . 0.0 110.408 176.83 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.79 45.82 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.328 2.685 . . . . 0.0 112.68 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.444 HG23 ' HB2' ' A' ' 6' ' ' LYS . 41.7 mm -117.54 125.6 74.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.843 -176.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.7 m -107.62 -27.18 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.071 173.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -150.04 -40.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.81 176.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' HB2' HG23 ' A' ' 3' ' ' ILE . 61.8 tttp 73.16 -61.51 0.5 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.335 0.654 . . . . 0.0 111.318 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -83.5 144.87 29.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.103 0.478 . . . . 0.0 111.241 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.6 p -80.48 142.52 34.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.94 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.97 -36.01 74.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.767 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -52.24 -48.98 64.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.259 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.5 ttt180 -66.98 -40.17 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.24 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 8' ' ' SER . 78.0 t -54.96 -50.53 61.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.742 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.92 -39.16 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.673 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -64.65 -37.55 87.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.01 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 11' ' ' ARG . 95.8 mt -65.73 -46.13 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.149 176.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 70.9 mt -59.2 -41.82 85.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.048 0.451 . . . . 0.0 109.915 176.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -57.47 -49.13 77.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.864 177.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.5 -38.46 91.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.563 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 96.1 mt -59.77 -41.92 92.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 175.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 24' ' ' VAL . 95.8 mt -63.4 -43.92 96.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.208 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.51 -40.46 75.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.732 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 73.6 t -58.64 -53.29 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.513 175.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.09 -39.13 91.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.483 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 20' ' ' LEU . 99.5 t -68.07 -41.84 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.556 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 14.6 pttm -70.84 -19.61 62.63 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.79 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 57.8 mm-40 -88.88 -11.92 43.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.313 176.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 49.84 64.25 1.85 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.444 -170.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.466 HG13 ' HB2' ' A' ' 26' ' ' GLU . 34.2 m -80.95 151.14 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.663 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.545 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 31.1 p -97.86 167.62 11.41 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.246 173.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.545 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 10.0 Cg_endo -53.85 -44.21 51.25 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.112 1.875 . . . . 0.0 111.69 175.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.31 -54.34 46.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.422 0.629 . . . . 0.0 110.014 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.35 -41.94 88.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.192 -175.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.16 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.942 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.09 -39.87 95.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.7 ttp -64.3 -43.99 93.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.353 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.0 m -70.42 -46.42 63.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.602 0.239 . . . . 0.0 111.221 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 41' ' ' VAL . 89.6 mt -62.51 -38.26 89.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.065 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.95 -46.05 91.45 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.508 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -69.62 -35.71 75.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.78 0.324 . . . . 0.0 110.639 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -62.83 -48.41 79.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.42 177.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.8 t -61.91 -43.15 97.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.726 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -56.52 -41.42 76.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.974 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.54 -32.63 72.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.884 0.374 . . . . 0.0 110.663 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 40' ' ' ALA . 46.2 mm -68.93 -44.4 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.073 0.463 . . . . 0.0 110.247 177.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 41' ' ' VAL . 59.1 mt -68.55 -20.91 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.479 0.657 . . . . 0.0 110.344 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.615 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -74.89 -10.66 59.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.91 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -93.89 -6.28 46.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.15 0.5 . . . . 0.0 110.004 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.0 t -96.91 127.48 38.93 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.187 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -52.46 136.33 56.21 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.983 2.455 . . . . 0.0 112.901 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.761 ' HG3' HH21 ' A' ' 53' ' ' ARG . 7.9 mt-10 -53.0 -21.87 4.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.2 t -65.69 -19.71 66.01 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.681 0.276 . . . . 0.0 111.399 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -139.69 11.31 2.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 111.075 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.761 HH21 ' HG3' ' A' ' 50' ' ' GLU . 12.9 ttm180 -70.39 -37.74 74.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.124 -173.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.4 t -75.52 -28.31 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.251 0.548 . . . . 0.0 109.857 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.78 -45.6 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.849 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.4 m -69.06 -38.16 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.744 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.5 p -71.03 -31.68 45.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.779 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -72.14 -43.09 65.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.697 0.284 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -67.28 -36.29 81.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.729 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.46 ' CE2' HG11 ' A' ' 41' ' ' VAL . 81.5 t80 -58.12 -56.09 26.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.287 0.565 . . . . 0.0 110.064 174.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.533 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 22.7 p -63.83 -38.25 90.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.447 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.98 -49.06 79.16 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.61 76.37 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.324 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 68' ' ' VAL . 21.3 mt -58.28 -58.07 10.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 176.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -64.26 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.094 -177.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -60.93 -51.23 70.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.862 0.363 . . . . 0.0 110.587 173.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 m -63.02 -39.65 95.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.321 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 64' ' ' LEU . 71.2 t -61.39 -40.75 87.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.359 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 mp -81.66 -30.17 32.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.371 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -73.49 -40.15 64.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.974 0.416 . . . . 0.0 111.573 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -88.86 70.93 8.66 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.978 0.418 . . . . 0.0 112.014 -170.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -93.76 -57.14 2.65 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 168.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -91.6 173.05 8.09 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 168.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.552 ' O ' ' HB2' ' A' ' 75' ' ' HIS . 13.7 t-80 -53.25 -72.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.136 0.272 . . . . 0.0 110.344 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.552 ' HB2' ' O ' ' A' ' 74' ' ' HIS . 1.4 t-80 165.38 -48.72 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 178.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 . . . . . 0 C--N 1.319 -0.742 0 CA-C-N 114.044 -1.434 . . . . 0.0 107.687 170.894 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.841 ' HB3' ' HD3' ' B' ' 2' ' ' PRO . 27.4 ttt . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 119.727 -0.178 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.841 ' HD3' ' HB3' ' B' ' 1' ' ' MET . 18.5 Cg_endo -91.89 133.82 1.4 Allowed 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.294 1.996 . . . . 0.0 112.307 176.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.6 tp -84.02 108.16 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.456 0.646 . . . . 0.0 109.81 176.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -63.74 132.55 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.996 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -104.32 56.36 0.72 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.701 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.14 -25.35 64.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.705 -175.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -129.69 162.36 28.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.596 0.236 . . . . 0.0 110.674 -171.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.506 ' O ' HG23 ' B' ' 12' ' ' VAL . 6.5 m -71.13 128.79 37.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.214 179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -61.59 -37.59 84.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.242 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' B' ' 10' ' ' GLU . 1.8 mp0 -55.93 -50.99 69.2 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.437 ' O ' HG13 ' B' ' 15' ' ' ILE . 21.4 ttt180 -59.09 -43.38 91.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.893 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 8' ' ' SER . 88.5 t -57.79 -54.1 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.152 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.518 ' HA ' HD12 ' B' ' 16' ' ' ILE . 47.7 mt-10 -70.09 -26.53 64.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.553 -177.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -67.31 -44.56 78.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 110.406 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.437 HG13 ' O ' ' B' ' 11' ' ' ARG . 80.1 mt -61.44 -40.27 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.218 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' B' ' 13' ' ' GLU . 67.0 mt -57.95 -43.88 85.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.014 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.67 -46.34 79.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.097 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.403 ' O ' HG23 ' B' ' 22' ' ' VAL . 26.0 t70 -63.14 -32.8 74.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.969 -177.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.05 -43.8 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.13 0.49 . . . . 0.0 110.197 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 96.8 mt -64.03 -33.81 76.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.511 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.568 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 2.6 m-20 -58.41 -45.68 87.93 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.327 175.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 18' ' ' ASP . 49.1 t -56.55 -44.69 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.229 0.537 . . . . 0.0 110.433 177.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.476 HD22 HG21 ' B' ' 28' ' ' VAL . 86.1 mt -67.92 -33.92 75.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.555 -177.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' B' ' 21' ' ' ASP . 9.2 p -83.62 -25.41 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' B' ' 21' ' ' ASP . 96.3 mttt -62.38 -34.85 77.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.972 0.415 . . . . 0.0 110.346 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -98.45 -7.91 27.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.887 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 50.5 49.21 21.19 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.485 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.476 HG21 HD22 ' B' ' 23' ' ' LEU . 21.5 m -64.2 151.93 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.703 -175.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 82.7 p -81.58 159.6 66.41 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.716 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.6 -45.61 36.82 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.599 2.2 . . . . 0.0 112.228 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.57 -45.06 95.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 tp -66.06 -45.49 81.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.714 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.34 80.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.072 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.64 -40.97 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.2 ttp -67.42 -44.07 79.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.106 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 91.1 m -67.13 -46.89 72.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.133 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.572 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.0 mt -64.29 -40.53 96.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.779 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.67 -41.3 93.67 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.748 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -69.97 -37.01 75.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.734 0.302 . . . . 0.0 110.636 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.33 94.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.611 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 37' ' ' LEU . 63.0 t -60.94 -48.97 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.431 177.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 38.0 m -58.56 -40.16 82.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.323 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 48.2 t-20 -58.21 -44.63 88.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 110.184 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mm -67.75 -42.26 86.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.523 HD13 ' HB ' ' B' ' 57' ' ' VAL . 70.2 mt -65.72 -29.53 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.019 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.54 -22.34 63.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.047 0.451 . . . . 0.0 110.607 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.9 mt-30 -86.38 -5.95 59.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.283 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 28.7 t -94.14 135.65 24.35 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.97 140.51 58.89 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.102 2.534 . . . . 0.0 112.499 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' B' ' 53' ' ' ARG . 42.8 tt0 -58.32 -31.5 67.6 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -171.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 43.3 t -53.45 -33.34 53.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 0.0 111.183 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.84 3.11 10.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.775 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.479 ' CB ' ' HA ' ' B' ' 50' ' ' GLU . 41.8 ttm180 -64.1 -41.11 97.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.033 -176.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -73.83 -30.59 28.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.287 0.565 . . . . 0.0 110.215 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.65 -44.85 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.233 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.88 -38.3 81.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.523 ' HB ' HD13 ' B' ' 45' ' ' ILE . 7.7 p -71.15 -38.03 69.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.839 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.01 -47.45 74.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.279 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.88 -36.77 82.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.391 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.9 -53.92 52.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.978 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.533 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 41.1 p -64.5 -39.22 93.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.503 -178.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 87.6 tttt -61.35 -52.04 66.29 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.071 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.39 -32.73 74.29 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.222 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.465 ' O ' HG23 ' B' ' 68' ' ' VAL . 0.7 OUTLIER -57.24 -47.26 81.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.598 176.669 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -65.14 -34.95 79.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 23.0 mt-30 -62.15 -46.51 88.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 7.2 p -70.83 -35.41 72.45 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -175.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 64' ' ' LEU . 82.9 t -64.93 -39.39 85.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 111.274 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.88 -10.88 59.94 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' B' ' 66' ' ' GLN . 41.0 mm-40 -94.52 13.24 24.66 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -82.67 -31.92 28.43 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.006 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -111.15 30.52 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.208 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -55.53 -56.2 22.98 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.414 0.446 . . . . 0.0 111.525 -173.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -137.74 41.55 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.759 0.79 . . . . 0.0 110.016 174.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -124.53 172.25 9.35 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.745 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.869 -0.586 . . . . 0.0 109.468 178.842 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.411 ' HG2' HG22 ' A' ' 3' ' ' ILE . 1.5 pmm? . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.51 91.87 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.953 2.435 . . . . 0.0 113.167 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.615 HD11 ' HA ' ' A' ' 7' ' ' TYR . 17.5 tt -171.81 119.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.11 175.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.0 m -89.31 179.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.976 -172.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 13.6 m -65.07 99.66 0.38 Allowed 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.102 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 5' ' ' SER . 35.0 ttpt 165.44 -41.04 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.615 ' HA ' HD11 ' A' ' 3' ' ' ILE . 90.5 m-85 49.92 -144.53 0.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 113.35 -1.75 . . . . 0.0 110.976 -178.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.4 t -145.82 144.83 30.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -56.83 -32.63 65.94 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 123.328 0.393 . . . . 0.0 110.165 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.29 -40.61 97.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.481 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' O ' HG13 ' A' ' 15' ' ' ILE . 67.1 ttt180 -79.34 -39.07 33.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.712 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 16' ' ' ILE . 84.0 t -60.66 -41.0 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -55.18 -46.28 75.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.243 173.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -60.03 -45.91 91.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.583 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 11' ' ' ARG . 68.4 mt -61.83 -46.78 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.662 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 12' ' ' VAL . 75.9 mt -59.16 -46.78 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.391 . . . . 0.0 110.316 176.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -64.37 -37.14 86.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.827 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.413 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.1 t0 -70.53 -37.71 74.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.984 0.421 . . . . 0.0 110.042 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.77 -46.49 81.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.311 174.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 97.8 mt -64.29 -33.17 75.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.466 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.66 -34.91 78.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.408 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 18' ' ' ASP . 87.7 t -66.04 -42.68 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.121 0.486 . . . . 0.0 110.18 174.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.44 -33.4 75.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.663 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.7 t -80.8 -32.26 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.014 0.435 . . . . 0.0 110.638 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -55.32 -40.62 71.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.072 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' HG3' HG12 ' B' ' 15' ' ' ILE . 30.5 mm-40 -89.35 -22.89 22.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.972 176.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 56.64 75.04 0.37 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.708 -166.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.4 HG13 ' HB2' ' A' ' 26' ' ' GLU . 27.8 m -89.14 152.0 3.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.278 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -79.76 156.9 74.9 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -49.0 -42.54 38.12 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.411 2.074 . . . . 0.0 112.122 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -63.52 -51.13 66.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' HB2' ' CE1' ' B' ' 7' ' ' TYR . 62.4 tp -62.54 -39.68 94.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.817 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.42 -55.03 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.0 -40.52 89.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.792 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.4 ttp -62.13 -45.56 92.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.7 m -67.83 -45.69 73.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.602 0.239 . . . . 0.0 110.789 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.7 mt -61.13 -42.79 99.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.894 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.85 -43.22 94.83 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.693 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -69.61 -35.47 75.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.668 0.271 . . . . 0.0 110.539 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.19 82.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.691 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 37' ' ' LEU . 57.3 t -60.26 -48.8 86.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.292 177.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.1 m -59.4 -37.4 77.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.1 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.56 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 43.5 t30 -60.19 -43.39 95.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.756 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -68.17 -43.05 85.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.216 0.531 . . . . 0.0 110.269 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.537 HG22 ' HG3' ' A' ' 53' ' ' ARG . 59.3 mt -68.72 -26.53 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.486 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.16 -16.35 59.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.786 0.327 . . . . 0.0 111.331 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 77.2 mt-30 -85.77 -34.77 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.864 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 45' ' ' ILE . 31.5 m -72.35 150.01 91.62 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.48 145.13 98.88 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.588 2.192 . . . . 0.0 111.203 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.685 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 15.4 tt0 -67.43 -8.72 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.083 0.468 . . . . 0.0 111.334 -174.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -61.94 -29.44 70.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.806 174.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' HG22 ' A' ' 56' ' ' VAL . 29.5 mtpp -111.61 -19.68 12.42 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.094 0.473 . . . . 0.0 110.404 177.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.685 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 41.0 ttm180 -57.37 -41.13 79.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.956 -168.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.67 -35.67 18.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.211 0.529 . . . . 0.0 110.719 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.06 -42.93 72.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.121 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 52' ' ' LYS . 23.9 m -67.83 -35.88 73.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.4 p -74.39 -35.34 39.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.936 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.71 -43.09 80.89 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.206 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -65.71 -39.52 91.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -57.8 -55.5 34.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.406 0.622 . . . . 0.0 110.287 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.626 ' OG1' ' HE3' ' B' ' 65' ' ' LYS . 23.0 p -66.55 -40.75 89.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.618 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -59.22 -44.62 92.29 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.777 0.322 . . . . 0.0 110.771 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 66' ' ' GLN . . . -63.5 -42.1 98.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.001 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -55.1 -51.96 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.734 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.15 -48.52 76.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.549 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -76.12 -19.71 58.27 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -174.679 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.0 m -87.81 -21.97 24.77 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.221 0.534 . . . . 0.0 110.797 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -93.34 -48.79 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.436 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.62 -45.01 94.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.663 0.268 . . . . 0.0 110.76 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -94.29 89.53 5.96 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.39 -71.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.088 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.5 t60 65.05 -76.87 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -171.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 178.88 -74.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 175.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -165.26 -166.41 1.0 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 172.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -109.69 -27.9 9.11 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 168.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.4 m170 . . . . . 0 C--O 1.247 0.971 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.497 175.492 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.43 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 94.0 mtp . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 7.1 Cg_exo -72.75 -4.12 14.77 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.221 2.614 . . . . 0.0 112.814 -176.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.6 mt -63.7 129.45 27.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 60.4 t -69.02 -73.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.335 -172.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 56.1 m 57.97 -91.08 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 O-C-N 123.292 0.37 . . . . 0.0 110.834 -171.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.419 ' HB3' ' HE2' ' B' ' 6' ' ' LYS . 36.8 mtpt -134.43 19.26 3.64 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 175.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 84.7 m-85 62.85 -161.97 0.29 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.867 -176.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.483 ' O ' HG23 ' B' ' 12' ' ' VAL . 11.7 p -144.3 129.44 18.65 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -62.15 -22.31 65.75 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.897 0.38 . . . . 0.0 110.655 -177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -62.08 -53.85 49.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.873 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.506 ' O ' HG13 ' B' ' 15' ' ' ILE . 66.8 ttt180 -71.88 -37.83 70.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.274 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 8' ' ' SER . 96.6 t -59.18 -53.0 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.717 0.294 . . . . 0.0 111.023 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -71.72 -26.88 62.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.119 0.485 . . . . 0.0 110.048 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.47 -49.19 78.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.462 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.9 mt -60.19 -45.95 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.558 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.514 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 73.4 mt -56.89 -45.19 83.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.367 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.96 -47.23 84.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.874 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -63.56 -34.77 78.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.08 0.467 . . . . 0.0 110.398 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.4 mt -67.11 -39.11 86.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.597 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 94.2 mt -65.03 -34.44 78.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.27 177.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.94 -39.58 92.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.488 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.71 -41.19 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.08 0.466 . . . . 0.0 110.669 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.34 -44.96 89.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.254 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p -76.73 -24.62 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.702 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -60.34 -38.83 85.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.861 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.48 ' HB2' HG13 ' B' ' 28' ' ' VAL . 70.8 mm-40 -94.63 -9.58 34.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.035 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 55.95 48.92 16.9 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.129 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.48 HG13 ' HB2' ' B' ' 26' ' ' GLU . 24.6 m -71.43 152.56 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.411 -177.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 19.1 p -82.46 160.33 62.28 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.83 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -53.48 -37.2 82.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.361 2.041 . . . . 0.0 111.934 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.59 -50.23 65.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.343 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.469 HD22 ' CZ ' ' A' ' 7' ' ' TYR . 57.9 tp -63.34 -38.83 92.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.771 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.26 -57.01 13.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.77 -39.09 93.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.019 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 57.2 ttp -64.39 -41.49 96.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.22 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -70.58 -41.82 71.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.592 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 41' ' ' VAL . 94.0 mt -61.87 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.752 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.28 -42.67 95.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.427 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -65.72 -39.91 91.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.615 0.245 . . . . 0.0 110.944 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.408 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -62.42 -48.09 81.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 37' ' ' LEU . 78.6 t -57.9 -47.99 85.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.676 178.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.1 m -57.95 -40.52 80.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.258 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 29.2 t-20 -66.83 -33.76 76.32 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.855 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.408 HG12 ' O ' ' B' ' 40' ' ' ALA . 46.2 mm -70.33 -45.88 73.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 0.0 110.327 177.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.521 HG22 ' HG3' ' B' ' 53' ' ' ARG . 63.7 mt -66.69 -26.04 36.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.7 -13.41 61.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.401 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 70.9 mt-30 -89.34 -5.91 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.362 0.601 . . . . 0.0 110.012 177.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 22.6 t -100.45 125.75 38.2 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.296 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -51.9 143.99 37.57 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.822 2.348 . . . . 0.0 112.283 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.574 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 40.8 mt-10 -55.94 -26.12 46.44 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -175.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.413 ' HB3' ' HD2' ' B' ' 52' ' ' LYS . 47.0 t -50.03 -34.41 21.27 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.538 0.524 . . . . 0.0 111.431 177.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -132.12 15.97 4.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.087 0.47 . . . . 0.0 110.523 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.574 ' HB3' ' HA ' ' B' ' 50' ' ' GLU . 43.5 ttm180 -74.62 -36.5 62.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.621 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.62 -38.85 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.138 0.494 . . . . 0.0 109.81 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.32 82.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.28 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 31.0 m -68.05 -39.9 82.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 p -71.32 -37.87 67.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.002 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.21 -46.85 75.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.63 -42.07 82.62 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.742 177.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.17 -51.51 69.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.518 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.406 HG22 HG22 ' A' ' 61' ' ' THR . 34.5 p -67.18 -34.58 77.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.723 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -64.44 -45.32 87.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.76 91.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 28.0 mt -55.38 -57.61 11.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.292 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.626 ' HE3' ' OG1' ' A' ' 61' ' ' THR . 88.0 mttt -59.97 -34.32 73.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.862 -175.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' B' ' 70' ' ' GLU . 49.6 tt0 -70.99 -51.56 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.187 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 12.8 t -61.48 -38.77 88.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -175.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 76.6 t -66.85 -45.02 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.266 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 mp -73.03 -27.11 61.57 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.389 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.559 ' HB3' ' CD2' ' B' ' 72' ' ' HIS . 93.9 mt-10 -71.42 -34.45 70.32 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 171.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 25.8 p80 38.53 89.44 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.736 1.214 . . . . 0.0 113.086 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' B' ' 70' ' ' GLU . 29.4 p80 -164.25 171.32 15.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.497 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' B' ' 74' ' ' HIS . 82.5 m-70 -90.74 160.33 15.87 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' B' ' 73' ' ' HIS . 59.4 m-70 66.56 -172.57 0.19 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.359 0.412 . . . . 0.0 110.136 -172.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -111.91 19.77 17.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.33 -0.231 . . . . 0.0 110.876 -177.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 . . . . . 0 C--O 1.246 0.885 0 C-N-CA 124.81 1.244 . . . . 0.0 111.495 -179.702 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.472 0.177 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.04 133.36 43.79 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.421 2.081 . . . . 0.0 111.128 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -80.78 50.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.158 0.504 . . . . 0.0 111.52 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.447 ' HB ' ' H ' ' A' ' 5' ' ' SER . 11.3 t -116.16 -94.9 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.447 ' H ' ' HB ' ' A' ' 4' ' ' VAL . 19.6 m 49.36 41.04 19.89 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.749 0.655 . . . . 0.0 111.695 176.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -72.31 96.52 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.242 0.544 . . . . 0.0 110.686 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.436 ' CE2' ' HB2' ' B' ' 32' ' ' LEU . 13.3 p90 -82.48 157.02 23.77 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.566 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 m -97.82 158.98 15.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.883 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -62.39 -28.61 69.9 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.69 0.281 . . . . 0.0 111.194 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.13 -39.6 86.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.334 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.483 ' O ' HG13 ' A' ' 15' ' ' ILE . 61.5 ttt180 -72.75 -37.02 67.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.169 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 16' ' ' ILE . 58.8 t -55.24 -50.25 66.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.557 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 16' ' ' ILE . 31.6 tt0 -70.54 -29.92 66.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.688 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.18 -45.89 89.85 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.29 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 11' ' ' ARG . 62.3 mt -63.83 -37.86 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.358 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 13' ' ' GLU . 71.0 mt -59.15 -47.89 88.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.029 0.442 . . . . 0.0 109.908 175.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -61.86 -44.09 97.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.528 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -45.51 77.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.586 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 90.1 mt -65.06 -42.63 94.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.865 178.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.7 mt -60.62 -42.08 96.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.695 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.42 -37.38 80.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.5 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.96 -37.23 83.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.02 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -79.17 -32.69 15.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.839 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -58.44 -40.79 83.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.169 0.509 . . . . 0.0 110.659 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 28' ' ' VAL . 13.7 mm-40 -86.29 -21.37 27.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.06 178.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 58.38 66.82 1.02 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.506 -173.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 26' ' ' GLU . 23.8 m -92.24 166.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.746 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -89.65 161.73 38.29 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.473 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 51.8 Cg_exo -55.28 -44.28 50.49 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.277 1.985 . . . . 0.0 111.691 177.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.88 -46.25 90.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.668 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.605 HD11 HG22 ' B' ' 12' ' ' VAL . 63.0 tp -65.44 -42.05 92.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.761 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.28 -48.45 78.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.9 mt -59.65 -45.88 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.18 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.5 ttp -61.05 -41.24 96.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.9 m -69.21 -48.7 61.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.85 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.9 mt -58.58 -42.67 88.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.756 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.82 -47.93 82.21 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.278 -0.487 . . . . 0.0 112.745 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -69.69 -32.76 71.54 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.888 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.8 85.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.896 0.379 . . . . 0.0 110.264 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 37' ' ' LEU . 88.6 t -59.9 -46.68 93.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.255 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.51 HG23 HG22 ' B' ' 68' ' ' VAL . 43.2 m -60.45 -26.92 67.12 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.32 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -73.45 -45.07 56.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.506 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -65.78 -41.06 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.039 0.447 . . . . 0.0 110.825 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.608 HG22 ' HG3' ' A' ' 53' ' ' ARG . 58.9 mt -71.08 -17.04 19.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.916 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.42 -6.66 59.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 110.983 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -87.11 -10.3 53.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.1 m -105.7 155.3 38.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.681 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.11 140.03 80.45 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.895 2.397 . . . . 0.0 111.481 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.683 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 4.3 pt-20 -64.67 -17.16 63.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -174.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.5 t -58.51 -42.78 88.46 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.931 0.396 . . . . 0.0 110.332 172.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' O ' HG23 ' A' ' 56' ' ' VAL . 57.3 mttm -92.91 -26.96 17.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.322 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.683 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 32.0 ttm180 -51.46 -48.52 62.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.928 -174.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.43 -44.5 94.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.63 -43.5 93.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.178 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 52' ' ' LYS . 94.5 t -63.92 -47.28 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.444 -178.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.47 -37.36 79.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.429 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 37.5 t70 -70.43 -41.26 73.1 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.887 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -64.13 -35.86 82.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.901 0.381 . . . . 0.0 110.196 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.68 -54.58 44.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.819 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.948 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 44.8 p -63.35 -36.63 84.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.55 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -62.53 -48.0 81.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.749 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.67 -30.62 70.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.028 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 68' ' ' VAL . 10.5 mt -57.47 -59.07 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.243 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.569 ' HG2' HG22 ' B' ' 57' ' ' VAL . 8.9 mtmp? -62.11 -35.52 78.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.982 0.42 . . . . 0.0 110.571 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.91 -48.43 74.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.449 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.1 p -69.72 -23.73 63.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -175.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 64' ' ' LEU . 72.6 t -72.81 -46.3 53.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.792 0.329 . . . . 0.0 110.427 176.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.3 -38.33 68.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.773 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -94.19 27.43 2.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.821 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -80.9 122.92 27.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.201 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -48.69 133.34 17.2 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.72 0.637 . . . . 0.0 111.512 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -135.0 144.66 47.49 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.724 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -73.1 89.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -76.43 98.24 4.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.779 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 77.7 t60 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.905 -176.059 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.0 ttp . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.87 -95.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.023 2.482 . . . . 0.0 112.861 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.6 pt -137.28 -0.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 p -115.85 125.02 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.315 0.579 . . . . 0.0 110.92 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -100.93 159.02 15.55 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.175 175.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.704 ' H ' ' HD2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -85.72 3.15 42.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.697 0.284 . . . . 0.0 110.428 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.463 ' HB3' ' H ' ' B' ' 8' ' ' SER . 92.0 m-85 61.62 -151.69 0.38 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.143 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.463 ' H ' ' HB3' ' B' ' 7' ' ' TYR . 43.7 t -163.38 125.58 2.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.003 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.47 -44.15 95.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.107 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.7 -31.26 72.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.037 0.446 . . . . 0.0 110.593 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.551 ' O ' HG13 ' B' ' 15' ' ' ILE . 46.8 ttt85 -67.78 -44.83 76.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.183 177.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.605 HG22 HD11 ' A' ' 32' ' ' LEU . 98.4 t -62.64 -42.11 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.141 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.77 -41.68 82.52 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.075 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -64.49 -45.16 88.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.138 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.551 HG13 ' O ' ' B' ' 11' ' ' ARG . 69.6 mt -58.68 -41.87 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.694 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.496 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 67.5 mt -61.81 -40.6 87.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.011 0.434 . . . . 0.0 110.187 176.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -66.29 -38.57 88.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.665 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' B' ' 21' ' ' ASP . 0.8 OUTLIER -60.91 -42.09 97.42 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.039 0.447 . . . . 0.0 110.896 176.419 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 77.0 mt -63.97 -42.99 97.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.189 177.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 98.5 mt -63.84 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.716 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.498 ' HA ' HG12 ' B' ' 24' ' ' VAL . 17.8 t70 -60.25 -48.4 81.92 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.223 175.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 1.063 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 57.9 t -54.79 -43.1 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.427 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.69 -38.63 77.06 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.58 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' B' ' 21' ' ' ASP . 11.1 p -83.14 -32.4 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 1.063 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 55.0 pttt -72.34 -24.05 61.24 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.78 178.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -88.76 -25.48 22.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.162 174.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 60.87 53.19 3.91 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.506 0.67 . . . . 0.0 110.188 -175.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.45 HG11 HD13 ' A' ' 15' ' ' ILE . 32.7 m -84.73 159.59 3.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.297 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 34.2 p -84.97 156.68 60.62 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.879 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.434 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 10.2 Cg_endo -52.77 -40.12 75.27 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.856 2.371 . . . . 0.0 112.382 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.04 -45.29 89.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.753 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.436 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 54.6 tp -66.82 -45.14 79.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.489 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -54.96 -52.07 64.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.026 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.486 HD22 HG13 ' A' ' 41' ' ' VAL . 98.6 mt -61.16 -42.2 98.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.218 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.1 ttp -63.14 -41.1 99.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.01 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.411 ' SG ' ' HB ' ' A' ' 15' ' ' ILE . 93.8 m -72.15 -41.62 66.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.017 177.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.536 ' O ' HG23 ' B' ' 41' ' ' VAL . 90.8 mt -58.17 -47.64 82.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.574 177.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -46.94 93.19 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.603 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -65.07 -28.69 69.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.574 0.226 . . . . 0.0 111.48 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.77 -44.04 70.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 110.085 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 37' ' ' LEU . 79.0 t -58.57 -46.09 90.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.635 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -52.91 -41.81 64.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.766 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -69.89 -38.12 76.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.614 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.4 mm -66.41 -44.81 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.605 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.535 HD13 ' HB ' ' B' ' 57' ' ' VAL . 69.4 mt -64.92 -28.03 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.64 -12.18 60.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.288 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -100.7 -4.55 28.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.27 0.557 . . . . 0.0 109.903 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -86.5 138.83 33.7 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.702 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -41.1 128.93 3.03 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.557 2.838 . . . . 0.0 112.85 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.564 ' HA ' ' HB2' ' B' ' 53' ' ' ARG . 31.8 tt0 -62.41 -27.31 69.0 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -170.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.9 t -61.01 -30.21 70.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.663 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.444 ' O ' HG13 ' B' ' 56' ' ' VAL . 16.9 ptpt -114.85 5.63 15.21 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.907 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.564 ' HB2' ' HA ' ' B' ' 50' ' ' GLU . 42.9 ttm180 -65.82 -42.71 90.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.673 0.273 . . . . 0.0 111.42 -174.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.6 -31.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.6 0.714 . . . . 0.0 109.371 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -45.58 66.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.662 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.444 HG13 ' O ' ' B' ' 52' ' ' LYS . 28.5 m -65.87 -34.08 67.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.569 HG22 ' HG2' ' A' ' 65' ' ' LYS . 8.2 p -73.76 -38.13 50.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.434 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.494 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 20.9 t70 -67.81 -46.23 72.49 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -67.04 -29.86 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.829 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.447 ' HE1' ' O ' ' A' ' 34' ' ' LEU . 65.6 t80 -62.83 -51.75 65.82 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 173.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.948 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 61.4 p -65.86 -34.28 77.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -58.28 -56.14 25.9 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.09 171.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.84 83.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.351 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.415 ' O ' HG23 ' B' ' 68' ' ' VAL . 15.5 mt -53.67 -62.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.374 0.421 . . . . 0.0 111.273 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.524 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 56.5 mtmt -63.08 -30.05 71.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -71.56 -44.76 63.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.502 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.494 ' O ' ' HB2' ' B' ' 71' ' ' HIS . 7.8 t -72.33 -36.82 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.51 HG22 HG23 ' A' ' 42' ' ' THR . 79.2 t -67.23 -42.53 88.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.715 -0.221 . . . . 0.0 111.448 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 tt -64.25 -38.52 91.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.377 0.608 . . . . 0.0 109.725 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' B' ' 70' ' ' GLU . 38.8 tt0 -82.45 -3.43 55.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.914 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' B' ' 67' ' ' SER . 9.8 t-160 -83.19 69.3 9.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.389 0.614 . . . . 0.0 111.795 -171.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -110.45 108.07 17.95 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 167.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -55.69 117.23 3.44 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.309 0.576 . . . . 0.0 112.544 -168.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 1.2 t60 61.26 22.0 12.41 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.947 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -141.05 86.73 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.021 0.438 . . . . 0.0 110.56 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.092 -179.537 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -83.8 -169.9 0.77 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.436 2.091 . . . . 0.0 110.343 169.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -82.89 117.91 29.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.351 175.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 m -86.31 112.01 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.042 0.449 . . . . 0.0 111.141 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 7' ' ' TYR . 39.2 m 66.49 176.8 0.23 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.101 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.442 ' NZ ' ' HB3' ' A' ' 6' ' ' LYS . 3.9 ttpm? 54.78 76.09 0.27 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.526 0.679 . . . . 0.0 109.337 -174.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 5' ' ' SER . 12.3 m-85 -89.7 156.54 18.48 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.661 -169.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m -67.35 134.09 50.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.02 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -59.3 -32.45 70.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.181 -174.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.86 -45.83 91.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.707 0.289 . . . . 0.0 110.378 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 15' ' ' ILE . 20.8 ttt180 -67.65 -42.23 82.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.571 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 16' ' ' ILE . 86.2 t -58.36 -50.18 79.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.66 -25.07 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.979 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -62.26 -50.27 72.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.026 0.441 . . . . 0.0 110.022 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 11' ' ' ARG . 57.4 mt -61.84 -44.23 98.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.328 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 12' ' ' VAL . 79.6 mt -57.91 -48.04 84.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.798 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -65.25 -38.33 90.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.297 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -66.84 -37.15 83.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.006 0.432 . . . . 0.0 110.161 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.507 HD13 HD23 ' B' ' 37' ' ' LEU . 84.8 mt -66.54 -46.97 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.385 175.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.62 -33.81 75.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.568 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 8.9 t70 -62.85 -41.7 99.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.012 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.12 -43.65 93.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.774 0.321 . . . . 0.0 110.232 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.13 -46.68 89.57 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.66 -35.97 63.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 110.597 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 33.1 ttmt -58.96 -38.4 79.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.855 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HB2' HG13 ' A' ' 28' ' ' VAL . 45.9 mm-40 -93.31 -6.82 46.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.109 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 55.21 48.79 18.65 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.13 0.49 . . . . 0.0 110.87 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.439 HG13 ' HB2' ' A' ' 26' ' ' GLU . 25.9 m -73.73 152.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.514 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 p -81.72 157.74 69.08 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.5 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.581 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 10.1 Cg_endo -53.66 -42.01 69.41 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.317 2.011 . . . . 0.0 111.105 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -57.5 -51.75 68.17 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.633 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.521 HD11 HG22 ' B' ' 12' ' ' VAL . 57.3 tp -65.72 -42.62 90.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.855 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.55 96.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.182 -178.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.9 mt -62.25 -41.19 98.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.703 0.287 . . . . 0.0 110.676 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.456 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 43.5 ttp -67.56 -28.99 68.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.101 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.497 ' HA ' HG12 ' B' ' 16' ' ' ILE . 65.8 m -82.43 -50.21 9.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.795 0.331 . . . . 0.0 110.782 178.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.2 mt -61.0 -49.71 76.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -178.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.61 -35.91 91.85 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.358 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 35' ' ' MET . 15.7 t-20 -66.39 -40.26 89.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.218 0.532 . . . . 0.0 109.797 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.66 82.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.706 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.587 HG22 HD13 ' B' ' 37' ' ' LEU . 60.5 t -59.33 -42.32 87.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.451 178.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -56.25 -43.93 79.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.188 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 44.1 t30 -60.18 -43.42 95.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.683 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -65.48 -48.45 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.29 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.526 HG21 ' HB ' ' A' ' 57' ' ' VAL . 47.0 mt -71.32 -28.18 31.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.801 0.334 . . . . 0.0 111.192 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.24 -15.67 63.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 69.2 mt-30 -91.71 -1.28 57.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.042 0.448 . . . . 0.0 110.631 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.542 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 45.4 t -90.35 137.89 27.35 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.269 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.99 145.21 94.21 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 122.152 1.901 . . . . 0.0 111.983 174.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.464 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 3.3 tp10 -55.86 -26.34 46.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.169 -173.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -53.13 -30.96 39.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.736 0.303 . . . . 0.0 111.815 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -135.48 -0.06 2.7 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.362 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.542 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 44.9 ttp180 -68.21 -52.56 32.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.055 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 58.3 t -61.6 -31.67 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.179 0.514 . . . . 0.0 110.024 176.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.18 -53.53 29.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.601 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.09 -36.72 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.526 ' HB ' HG21 ' A' ' 45' ' ' ILE . 11.4 p -72.41 -26.94 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.513 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 4.2 t70 -74.59 -46.23 39.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.063 0.459 . . . . 0.0 109.891 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -62.73 -40.21 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.33 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -56.24 -52.36 64.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.533 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.494 HG22 HG22 ' B' ' 61' ' ' THR . 10.8 p -69.01 -37.13 78.51 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.413 -176.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -61.92 -50.19 73.14 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.918 0.389 . . . . 0.0 110.545 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.27 80.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.185 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.6 mt -58.39 -55.89 29.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -57.81 -41.24 81.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.191 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -68.25 -45.51 73.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.259 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.733 ' O ' ' HB2' ' A' ' 71' ' ' HIS . 15.0 t -67.74 -36.72 81.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.833 -0.167 . . . . 0.0 111.003 -176.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.93 -49.99 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.703 0.287 . . . . 0.0 111.333 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.75 -48.67 63.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.464 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -82.65 7.26 15.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.954 0.406 . . . . 0.0 111.034 -175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.733 ' HB2' ' O ' ' A' ' 67' ' ' SER . 11.4 t-80 -77.13 -12.68 59.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -129.49 104.93 7.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.527 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -84.92 133.42 34.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.236 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -57.49 118.53 5.28 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -78.59 14.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.998 -172.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 . . . . . 0 C--O 1.245 0.867 0 CA-C-N 115.408 -0.814 . . . . 0.0 108.995 175.862 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.419 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 67.1 mtt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 3.1 Cg_exo -76.59 165.98 28.04 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.84 2.36 . . . . 0.0 110.959 174.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.5 tp -75.81 90.42 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 122.014 0.911 . . . . 0.0 110.281 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.27 117.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.832 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -144.05 15.91 1.72 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.487 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -111.66 -1.27 15.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.777 -175.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 55.72 -151.55 0.39 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.525 174.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.421 ' O ' HG23 ' B' ' 12' ' ' VAL . 21.3 m -145.31 135.08 23.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -52.69 -49.16 65.86 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.515 0.509 . . . . 0.0 112.037 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.57 -50.13 68.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.535 ' O ' HG13 ' B' ' 15' ' ' ILE . 35.8 ttt85 -64.97 -50.63 65.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.965 -177.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.521 HG22 HD11 ' A' ' 32' ' ' LEU . 89.7 t -60.19 -50.26 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.337 -177.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.21 -24.22 61.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.981 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -75.77 -33.3 60.19 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.786 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.549 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 87.0 mt -60.92 -47.31 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.497 HG12 ' HA ' ' A' ' 36' ' ' CYS . 55.8 mt -59.6 -44.9 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.385 175.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -58.49 -52.93 63.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.934 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.424 ' O ' HG23 ' B' ' 22' ' ' VAL . 24.9 t70 -60.85 -36.11 78.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.579 0.228 . . . . 0.0 111.33 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 96.0 mt -62.04 -44.14 97.32 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 110.148 174.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.452 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.38 -28.99 69.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.994 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 84.9 t -69.77 -39.45 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.4 0.619 . . . . 0.0 109.785 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.17 -37.58 85.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.8 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 84.5 t -78.38 -30.01 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.075 0.464 . . . . 0.0 110.747 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 72.2 tttt -52.35 -46.52 66.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.666 175.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -95.32 -8.72 35.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.247 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 46.6 65.28 1.25 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.646 0.736 . . . . 0.0 110.326 -170.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 33.2 m -69.32 153.19 8.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.673 -1.149 . . . . 0.0 112.444 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.652 HG22 ' HD2' ' B' ' 30' ' ' PRO . 0.2 OUTLIER -89.3 146.61 36.44 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 114.288 -1.324 . . . . 0.0 109.119 177.468 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.652 ' HD2' HG22 ' B' ' 29' ' ' THR . 48.2 Cg_exo -40.03 -51.36 3.15 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.376 2.718 . . . . 0.0 114.574 -178.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.84 -35.48 77.0 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.936 0.398 . . . . 0.0 110.76 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.41 -44.99 77.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.373 176.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.08 -52.77 64.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.114 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.03 -31.11 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.98 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 36.7 ttp -69.49 -49.51 54.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.733 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.71 -47.5 72.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.236 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.587 HD13 HG22 ' A' ' 41' ' ' VAL . 88.1 mt -61.42 -42.71 99.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.12 -42.73 97.23 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.663 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -72.12 -34.31 68.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.655 0.264 . . . . 0.0 110.777 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.13 84.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 37' ' ' LEU . 60.4 t -59.89 -51.94 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.665 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 56.9 m -55.96 -35.79 67.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.527 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.39 -39.78 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.787 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.7 tt -83.96 -22.05 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.892 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.426 HG13 ' O ' ' B' ' 41' ' ' VAL . 61.2 mt -72.65 -27.71 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.213 0.53 . . . . 0.0 109.935 175.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.39 -18.14 64.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.75 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -81.94 -10.64 59.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.296 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.2 t -92.98 130.99 34.38 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.926 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 146.92 26.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.872 2.381 . . . . 0.0 112.439 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -58.45 -25.56 62.37 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.971 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.4 m -52.4 -41.76 63.46 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.402 0.438 . . . . 0.0 111.787 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -123.26 7.69 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.674 0.273 . . . . 0.0 111.397 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -65.66 -36.38 83.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.88 0.371 . . . . 0.0 110.473 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.82 -32.9 42.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.207 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.4 -47.18 62.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.251 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 m -64.91 -38.62 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 8.6 p -73.51 -33.54 39.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.794 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -66.67 -50.44 62.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.933 0.397 . . . . 0.0 109.972 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -62.91 -32.65 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.426 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.53 -55.87 28.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.765 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.528 ' O ' ' HB2' ' B' ' 65' ' ' LYS . 22.9 p -64.47 -33.65 76.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.377 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -66.53 -56.51 10.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.051 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.84 91.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.667 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.403 ' O ' HG23 ' B' ' 68' ' ' VAL . 6.2 tt -64.39 -45.46 87.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.92 0.39 . . . . 0.0 110.032 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.543 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 1.7 tttm -59.59 -45.97 90.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.378 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.88 -39.29 90.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.347 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 6.3 t -70.31 -35.89 73.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.018 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 64' ' ' LEU . 78.2 t -65.0 -43.25 96.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.647 0.261 . . . . 0.0 110.367 176.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 93.3 mt -58.23 -53.93 52.71 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.713 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -97.49 78.5 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.199 0.523 . . . . 0.0 110.643 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -139.21 140.25 37.71 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -89.23 116.43 27.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.768 0.318 . . . . 0.0 111.141 -173.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -162.16 101.67 1.11 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.352 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -100.31 -170.29 1.85 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.432 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -85.46 100.88 12.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.012 0.434 . . . . 0.0 110.892 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.493 176.233 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 50.8 ttm . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.55 0.214 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 39.3 Cg_exo -60.91 132.76 43.87 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.758 2.305 . . . . 0.0 112.095 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.444 HG12 ' N ' ' A' ' 4' ' ' VAL . 14.9 tt -130.73 166.73 27.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.381 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.444 ' N ' HG12 ' A' ' 3' ' ' ILE . 21.6 t -66.45 -19.13 25.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.11 0.481 . . . . 0.0 111.245 -178.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 m -74.48 80.9 1.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.471 0.653 . . . . 0.0 111.67 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -90.4 -23.81 20.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.767 0.794 . . . . 0.0 109.079 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -74.1 144.29 45.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.877 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.5 p -75.88 151.72 37.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.877 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -62.73 -31.92 72.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.609 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -61.25 -45.24 95.33 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.872 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.619 ' O ' HG13 ' A' ' 15' ' ' ILE . 50.9 ttt85 -61.98 -46.09 90.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.856 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -55.28 -49.62 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.095 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -61.43 -38.6 87.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.212 0.53 . . . . 0.0 110.98 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HA ' ' HB3' ' A' ' 17' ' ' GLN . 42.5 mttp -81.48 -19.78 41.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.88 -175.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 11' ' ' ARG . 93.4 mt -66.77 -47.57 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 169.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.461 HG23 ' HB2' ' B' ' 40' ' ' ALA . 64.1 mt -61.15 -45.7 98.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.096 176.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.546 ' HB3' ' HA ' ' A' ' 14' ' ' LYS . 42.7 tp60 -59.77 -47.22 86.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.361 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -60.21 -43.41 96.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 109.951 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.73 -48.08 82.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.654 176.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.71 -37.39 86.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.195 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.63 -40.62 97.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.345 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.27 -45.57 95.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.15 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.478 HD11 HD21 ' A' ' 37' ' ' LEU . 97.5 mt -60.3 -42.43 95.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.279 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -75.52 -32.77 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -56.94 -43.24 81.29 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 174.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.49 ' HG3' HG12 ' B' ' 15' ' ' ILE . 66.5 mm-40 -82.02 -12.76 58.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.073 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 55.82 50.28 14.4 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.099 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.495 ' HA ' HD23 ' A' ' 32' ' ' LEU . 33.0 m -64.68 142.39 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.984 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 p -79.21 162.09 65.44 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.571 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 83.4 Cg_exo -48.82 -45.24 29.08 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.653 2.235 . . . . 0.0 112.584 178.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -72.96 -37.91 66.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.154 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 28' ' ' VAL . 60.1 tp -65.36 -38.74 90.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.867 0.365 . . . . 0.0 110.045 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.48 85.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.574 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 87.9 mt -58.78 -49.2 78.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.037 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttp -62.46 -39.04 92.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.467 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.462 ' HA ' HG12 ' B' ' 16' ' ' ILE . 61.1 m -76.08 -50.03 15.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.112 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.602 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.7 mt -65.47 -47.28 76.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.206 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.91 -34.09 81.48 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.37 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -68.3 -44.56 75.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.09 77.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.843 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 37' ' ' LEU . 82.3 t -61.79 -47.92 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.399 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.3 t -74.94 -19.24 60.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -173.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -74.03 -34.51 64.14 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 174.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.37 -38.45 69.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.246 0.546 . . . . 0.0 109.955 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.479 HD13 ' HB ' ' A' ' 57' ' ' VAL . 83.3 mt -62.22 -30.97 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.645 177.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.33 -5.49 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.462 . . . . 0.0 111.371 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.57 -24.28 18.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.148 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.538 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 27.5 m -91.56 162.51 31.38 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.475 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 48' ' ' VAL . 27.6 Cg_endo -62.79 148.08 93.87 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.583 2.189 . . . . 0.0 112.133 175.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.567 ' OE1' ' HD2' ' A' ' 53' ' ' ARG . 2.4 mm-40 -59.84 -23.77 63.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.025 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.0 t -48.72 -39.56 25.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.32 176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -118.91 3.92 11.5 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.567 ' HD2' ' OE1' ' A' ' 50' ' ' GLU . 96.3 mtt180 -60.45 -49.77 76.26 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.597 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.62 -28.57 40.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.146 0.498 . . . . 0.0 110.424 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.33 -48.25 43.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.1 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.694 ' HB ' HD11 ' B' ' 34' ' ' LEU . 28.7 m -64.14 -35.51 74.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.479 ' HB ' HD13 ' A' ' 45' ' ' ILE . 9.4 p -73.74 -36.77 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.771 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' HA ' ' HE2' ' B' ' 65' ' ' LYS . 17.9 t70 -68.8 -39.07 80.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.089 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -72.37 -32.46 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -61.09 -53.65 54.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.337 0.589 . . . . 0.0 109.717 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.3 p -65.25 -37.73 88.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -58.14 -49.61 76.37 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.519 175.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.92 71.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.386 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.51 -61.21 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.056 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -64.2 -32.16 73.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.496 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -60.7 -38.62 85.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.163 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 71' ' ' HIS . 15.1 m -88.19 -40.97 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.187 -176.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.23 -48.89 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.34 -20.48 60.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.313 . . . . 0.0 111.264 -175.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -95.83 -2.64 47.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.064 0.459 . . . . 0.0 110.479 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' A' ' 67' ' ' SER . 15.8 t-80 -89.95 16.23 8.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.111 0.481 . . . . 0.0 110.405 -177.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -72.7 101.72 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -106.74 130.38 54.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.221 -172.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -84.25 139.58 32.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.076 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -75.66 -81.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.989 0.423 . . . . 0.0 111.15 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--O 1.247 0.939 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -177.029 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -60.88 114.7 2.27 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.805 2.337 . . . . 0.0 112.483 -177.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.9 mm -61.17 132.82 26.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.548 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t -49.19 102.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.245 0 O-C-N 123.849 0.718 . . . . 0.0 112.265 -173.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -135.98 106.6 6.53 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -100.29 -22.67 15.02 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -128.48 131.33 48.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.871 0.367 . . . . 0.0 111.181 -174.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 7.3 p -86.7 146.43 26.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.389 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.37 -46.23 86.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.405 -176.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -60.23 -44.84 94.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.959 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.543 ' O ' HG13 ' B' ' 15' ' ' ILE . 55.3 ttt180 -63.88 -49.89 70.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.08 -46.73 95.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.77 -40.33 92.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.584 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -63.12 -43.8 97.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.056 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.543 HG13 ' O ' ' B' ' 11' ' ' ARG . 88.6 mt -57.74 -47.89 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.332 . . . . 0.0 110.489 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.462 HG12 ' HA ' ' A' ' 36' ' ' CYS . 63.2 mt -62.55 -46.66 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -64.92 -41.86 95.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.953 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.469 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -58.47 -43.4 88.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.412 178.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 91.6 mt -63.81 -42.97 97.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.645 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.15 -39.01 88.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -68.03 -36.5 80.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 18' ' ' ASP . 76.8 t -61.07 -42.77 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.099 0.476 . . . . 0.0 110.358 174.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 19' ' ' LEU . 91.3 mt -59.93 -42.76 94.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.709 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.0 t -68.48 -40.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.174 0.511 . . . . 0.0 110.234 176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -54.96 -43.43 73.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.422 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.513 ' HG3' HG12 ' A' ' 15' ' ' ILE . 12.0 mm-40 -86.28 -6.0 59.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.203 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 57.32 39.85 28.12 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.607 0.567 . . . . 0.0 111.123 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.558 HG12 HD13 ' A' ' 15' ' ' ILE . 32.1 m -62.75 131.68 28.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.087 0.47 . . . . 0.0 111.234 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.4 p -74.0 150.9 88.29 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.535 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 84.0 Cg_exo -46.52 -51.66 8.56 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.951 2.434 . . . . 0.0 113.322 -177.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.64 -38.46 91.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' B' ' 28' ' ' VAL . 44.1 tp -63.06 -44.5 95.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.462 175.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.96 78.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.614 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.694 HD11 ' HB ' ' A' ' 56' ' ' VAL . 84.3 mt -60.71 -44.76 96.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.444 177.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.45 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 50.4 ttp -64.55 -44.66 90.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 71.4 m -67.89 -52.51 35.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.305 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.584 ' O ' HG23 ' B' ' 41' ' ' VAL . 99.2 mt -63.1 -48.19 79.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.868 -178.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.21 97.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.488 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' B' ' 35' ' ' MET . 22.4 t-20 -66.6 -41.32 88.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.461 ' HB2' HG23 ' A' ' 16' ' ' ILE . . . -60.53 -47.37 86.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.569 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 37' ' ' LEU . 59.2 t -59.71 -43.3 91.15 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 CA-C-O 120.987 0.422 . . . . 0.0 110.398 177.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -58.12 -40.87 82.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.684 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -72.88 -12.98 61.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.921 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 40' ' ' ALA . 71.2 mt -94.9 -43.24 12.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.383 177.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.493 HG22 ' HG3' ' B' ' 53' ' ' ARG . 57.6 mt -69.11 -23.55 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.325 0.584 . . . . 0.0 110.711 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.56 -12.96 61.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.14 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -81.91 -35.94 28.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.01 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.487 HG22 ' O ' ' B' ' 45' ' ' ILE . 33.2 m -74.52 150.46 86.91 Favored Pre-proline 0 C--O 1.235 0.32 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.42 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.34 151.77 65.58 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.905 2.403 . . . . 0.0 112.024 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.457 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 24.1 mt-10 -66.96 -9.17 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.524 -175.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -70.32 -28.6 65.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.851 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.407 ' O ' HG23 ' B' ' 56' ' ' VAL . 18.8 ptpt -122.5 -4.21 8.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.289 . . . . 0.0 111.128 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.493 ' HG3' HG22 ' B' ' 45' ' ' ILE . 43.4 ttm180 -60.99 -40.13 92.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.473 -174.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.6 -39.59 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.059 0.457 . . . . 0.0 110.332 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.96 78.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.031 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.419 HG13 HD11 ' A' ' 34' ' ' LEU . 59.8 t -59.83 -50.01 81.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.708 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.17 -34.9 71.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.772 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.58 -44.83 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.666 0.269 . . . . 0.0 110.578 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -57.43 -42.32 82.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.125 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.16 -50.79 68.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.45 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -63.55 -39.43 94.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.745 -178.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -64.44 -46.73 81.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.334 . . . . 0.0 110.615 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.48 77.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.074 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 68' ' ' VAL . 58.9 mt -61.78 -57.29 12.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.428 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 93.4 mttt -61.27 -41.95 97.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.613 0.244 . . . . 0.0 111.074 -176.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -60.75 -36.08 78.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.104 0.478 . . . . 0.0 110.598 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 30.8 t -76.99 -25.48 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.259 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 64' ' ' LEU . 95.4 t -84.88 -34.24 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.747 0.308 . . . . 0.0 110.715 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 95.5 mt -60.04 -55.65 31.41 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.16 63.43 3.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.873 0.844 . . . . 0.0 108.789 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -69.93 115.21 8.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.991 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 72.8 t60 70.01 113.83 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.471 -177.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.0 147.84 52.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.986 -178.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -81.67 100.7 9.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.637 0.256 . . . . 0.0 111.379 -171.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 82.7 t60 71.53 -54.76 0.67 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.822 0.849 . . . . 0.0 111.598 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 6.4 p80 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.937 -0.554 . . . . 0.0 110.356 -178.526 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.437 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 2.1 mpt? . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 10.9 Cg_exo -72.17 -11.16 26.78 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.953 2.435 . . . . 0.0 111.516 176.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 56.0 mt -84.6 91.66 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.218 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.63 HG12 ' HG3' ' A' ' 6' ' ' LYS . 15.9 t 48.52 77.09 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.485 177.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -65.04 -35.91 82.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.249 -177.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.63 ' HG3' HG12 ' A' ' 4' ' ' VAL . 37.2 mtmm 69.76 4.52 4.78 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.172 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 58.55 -155.58 0.34 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.143 0.497 . . . . 0.0 110.761 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 p -91.97 130.06 37.79 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.248 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -53.63 -34.48 58.72 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.379 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -59.85 -55.23 36.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.572 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 15' ' ' ILE . 78.5 ttt180 -58.61 -46.11 87.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.882 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 16' ' ' ILE . 92.6 t -55.03 -53.1 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.486 -178.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -79.17 -16.09 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.765 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -64.77 -48.22 75.3 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 171.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 11' ' ' ARG . 61.8 mt -59.49 -48.99 85.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.225 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.432 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 69.1 mt -55.75 -49.79 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.977 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -64.61 -40.86 96.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.78 -37.47 86.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.015 0.436 . . . . 0.0 110.334 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.48 -45.96 81.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.689 174.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 93.9 mt -61.7 -34.3 75.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.891 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.436 ' HA ' HG12 ' A' ' 24' ' ' VAL . 23.3 t70 -64.53 -43.31 94.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.201 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.1 t -59.31 -42.89 88.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.045 0.45 . . . . 0.0 110.047 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.404 HD12 HD23 ' A' ' 20' ' ' LEU . 96.7 mt -62.45 -44.99 95.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.631 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' A' ' 21' ' ' ASP . 11.3 p -75.37 -31.06 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.606 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -65.25 -39.82 93.18 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.753 175.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -77.5 -10.77 59.67 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.654 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 60.31 42.85 14.38 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.3 m -75.12 134.8 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-O 122.053 0.93 . . . . 0.0 111.81 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.592 HG22 ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -76.31 143.15 72.51 Favored Pre-proline 0 N--CA 1.436 -1.149 0 CA-C-N 114.016 -1.447 . . . . 0.0 109.358 176.667 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.592 ' HD2' HG22 ' A' ' 29' ' ' THR . 53.5 Cg_exo -41.2 -48.7 4.97 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.44 2.76 . . . . 0.0 114.044 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.49 -49.79 76.15 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.386 0.612 . . . . 0.0 110.446 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.529 HD22 ' CE1' ' B' ' 7' ' ' TYR . 39.1 tp -59.78 -43.05 94.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.75 176.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.86 85.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.94 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 95.9 mt -60.47 -46.29 90.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 0.0 110.372 177.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.473 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 50.2 ttp -63.82 -36.12 82.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.003 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.5 m -75.26 -50.5 15.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.1 mt -62.46 -50.62 70.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.384 -177.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.02 -35.69 88.04 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.258 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.473 ' HB2' ' O ' ' A' ' 35' ' ' MET . 14.8 t-20 -67.94 -41.76 82.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.239 0.542 . . . . 0.0 109.763 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -64.13 -43.35 95.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.714 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.5 t -57.57 -41.7 79.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.307 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.486 HG23 HG22 ' B' ' 68' ' ' VAL . 89.3 m -55.29 -43.72 75.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.302 178.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -72.86 -31.22 64.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 40' ' ' ALA . 45.6 mm -69.41 -42.57 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 0.0 110.355 176.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.421 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 72.4 mt -67.01 -25.62 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.158 0.504 . . . . 0.0 110.116 177.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.86 -17.04 64.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.897 0.379 . . . . 0.0 110.967 178.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -89.55 -4.66 57.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.355 0.598 . . . . 0.0 110.169 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 t -92.39 137.02 24.83 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.89 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -64.0 144.73 88.53 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.185 1.923 . . . . 0.0 111.903 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -52.06 -32.61 35.36 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.181 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -54.86 -35.46 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.157 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -122.0 3.2 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 111.137 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 45' ' ' ILE . 18.5 ttp180 -68.41 -37.29 80.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.672 -174.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.86 -38.98 44.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.394 0.616 . . . . 0.0 110.216 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.56 97.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.501 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.8 m -68.03 -39.02 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -177.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -70.8 -32.04 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.306 -177.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.39 -49.23 44.06 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 110.415 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -63.0 -38.19 90.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -53.83 -53.59 50.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.427 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.568 HG22 HG22 ' B' ' 61' ' ' THR . 14.1 p -74.76 -41.84 59.34 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.954 -174.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -57.98 -49.41 76.92 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 120.996 0.427 . . . . 0.0 111.128 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.99 68.63 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.381 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.22 -53.11 61.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.503 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.481 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 43.5 mtpt -58.55 -44.66 89.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.974 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -59.78 -46.86 87.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.257 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.9 m -67.34 -40.93 85.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.388 -176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.55 -35.88 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.812 0.339 . . . . 0.0 110.94 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.23 -49.32 72.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.383 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -71.61 -40.42 69.81 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.104 0.478 . . . . 0.0 110.745 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -96.48 59.18 1.8 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.168 0.509 . . . . 0.0 110.134 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -76.37 -40.6 50.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.864 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -131.65 -81.77 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 170.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 53.46 84.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.98 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -107.06 -18.05 14.01 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 162.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 . . . . . 0 C--O 1.247 0.928 0 CA-C-N 113.726 -1.579 . . . . 0.0 107.957 172.482 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -71.18 100.46 1.0 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.561 2.174 . . . . 0.0 111.384 177.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -80.39 71.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.436 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.4 t 57.15 41.17 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.891 0.853 . . . . 0.0 110.244 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.4 p -79.52 70.36 5.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.673 0.749 . . . . 0.0 109.909 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -107.17 -7.86 16.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.196 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.529 ' CE1' HD22 ' A' ' 32' ' ' LEU . 6.2 m-85 -120.09 151.05 39.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.097 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.7 t -89.34 148.78 23.34 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 172.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.428 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 27.0 p-10 -61.65 -25.44 67.37 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.46 -43.62 84.15 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.619 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.469 ' O ' HG13 ' B' ' 15' ' ' ILE . 54.6 ttt85 -78.89 -35.65 43.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 -177.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.417 ' O ' HG13 ' B' ' 16' ' ' ILE . 91.7 t -60.55 -50.64 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.461 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 9' ' ' ASN . 53.2 mm-40 -63.4 -34.08 76.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.897 0.379 . . . . 0.0 110.274 176.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -61.06 -53.68 54.16 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.192 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.469 HG13 ' O ' ' B' ' 11' ' ' ARG . 75.2 mt -58.24 -40.7 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.512 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 12' ' ' VAL . 74.9 mt -60.48 -43.41 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.114 175.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -64.08 -42.9 96.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.839 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.61 -42.61 93.02 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.477 HD13 HD23 ' A' ' 37' ' ' LEU . 96.9 mt -65.29 -47.25 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.773 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 91.0 mt -62.51 -35.32 79.03 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.492 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -58.1 -47.86 81.95 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.55 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.23 -45.4 93.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 O-C-N 123.216 0.323 . . . . 0.0 110.883 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.41 -39.88 92.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.439 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 91.0 t -75.63 -38.04 37.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.964 0.411 . . . . 0.0 110.63 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -57.96 -41.3 82.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.925 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -80.67 -16.95 52.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.576 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 50.39 67.06 0.98 Allowed 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.117 -170.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 32.3 m -85.31 155.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.627 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 23.6 p -84.18 159.43 59.49 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.406 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 75.7 Cg_exo -50.25 -50.34 13.76 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.719 2.279 . . . . 0.0 112.622 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.43 -43.69 93.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.78 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 tp -61.86 -44.07 97.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.644 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.57 81.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 90.9 mt -60.88 -42.67 98.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 57.8 ttp -62.0 -41.89 98.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 62.5 m -69.15 -47.66 64.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 41' ' ' VAL . 99.0 mt -60.37 -41.39 93.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.248 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.26 -44.38 93.36 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.64 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -69.97 -34.83 73.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.803 0.335 . . . . 0.0 110.733 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.16 92.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.509 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 37' ' ' LEU . 64.0 t -61.57 -37.44 77.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.324 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.5 m -57.34 -41.48 80.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.772 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.14 -39.44 82.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.887 0.375 . . . . 0.0 110.513 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.7 mm -61.61 -47.87 91.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.386 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 41' ' ' VAL . 36.8 mt -71.22 -20.04 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.152 0.501 . . . . 0.0 110.361 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.654 ' HA ' ' NH1' ' B' ' 53' ' ' ARG . . . -75.13 -10.44 59.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 176.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -88.81 -6.95 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.578 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' B' ' 52' ' ' LYS . 20.7 t -102.53 129.19 26.5 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.816 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.48 142.64 85.61 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.417 2.078 . . . . 0.0 112.01 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.516 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 6.1 mp0 -45.38 -31.37 1.63 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.344 0.658 . . . . 0.0 112.589 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 15.2 m -46.44 -41.08 13.32 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 123.637 0.586 . . . . 0.0 111.735 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.452 ' HG3' ' CG1' ' B' ' 48' ' ' VAL . 20.2 ptmt -125.93 3.26 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.881 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.654 ' NH1' ' HA ' ' B' ' 46' ' ' ALA . 21.5 ttm-85 -62.36 -47.01 86.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -176.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 37.5 t -65.87 -35.17 74.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.206 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.41 -51.13 60.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.04 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.75 -35.57 75.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 p -71.4 -31.37 43.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 120.92 0.391 . . . . 0.0 110.645 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.69 -45.71 35.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -60.85 -41.35 95.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.66 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -56.01 -54.92 39.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.374 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.568 HG22 HG22 ' A' ' 61' ' ' THR . 18.9 p -70.0 -34.1 72.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.364 -176.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.69 -58.7 7.42 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.03 0.443 . . . . 0.0 110.657 173.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.525 -177.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 tt -58.83 -49.45 77.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.941 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.492 ' HG3' HG21 ' A' ' 61' ' ' THR . 8.5 mtmp? -62.36 -43.0 99.84 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.522 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' B' ' 66' ' ' GLN . 15.0 mm-40 -75.21 -30.93 60.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' B' ' 71' ' ' HIS . 17.5 p -72.76 -46.58 52.69 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.669 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.486 HG22 HG23 ' A' ' 42' ' ' THR . 94.4 t -61.03 -45.67 98.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.636 -0.257 . . . . 0.0 111.518 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.06 -14.65 63.1 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -125.12 12.98 8.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.275 0.56 . . . . 0.0 110.556 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' HIS . . . . . 0.548 ' HB2' ' O ' ' B' ' 67' ' ' SER . 34.1 t-80 -87.84 -30.07 20.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.457 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -93.49 -9.78 37.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.098 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 83.4 t60 72.01 156.77 0.17 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.461 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -73.24 141.63 47.27 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -136.19 113.08 10.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.239 0.543 . . . . 0.0 111.677 -173.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 36.8 t60 . . . . . 0 C--O 1.244 0.795 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.989 177.468 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.484 ' H2 ' ' HD2' ' A' ' 2' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.484 ' HD2' ' H2 ' ' A' ' 1' ' ' MET . 56.2 Cg_endo -71.62 100.45 1.05 Allowed 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.415 1.41 . . . . 0.0 111.666 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.2 mt -101.74 116.33 45.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.608 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.49 99.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -114.97 168.94 9.47 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.856 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -86.17 -25.9 25.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.816 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -89.84 145.87 24.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.114 0.483 . . . . 0.0 111.38 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 12' ' ' VAL . 22.3 p -112.09 177.98 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.005 177.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.12 -30.47 71.62 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.081 0.238 . . . . 0.0 110.778 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.23 -43.0 99.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.471 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.533 ' O ' HG13 ' A' ' 15' ' ' ILE . 79.9 ttt180 -70.0 -33.88 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.167 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 16' ' ' ILE . 61.1 t -61.63 -50.18 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.923 175.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.28 -39.71 70.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.836 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.24 -49.05 79.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.34 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 11' ' ' ARG . 56.1 mt -63.93 -43.3 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.365 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 12' ' ' VAL . 68.8 mt -60.93 -39.8 83.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.208 177.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.6 -41.86 92.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.751 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.09 -37.57 84.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.424 . . . . 0.0 110.283 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.7 -51.51 64.7 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.763 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 23' ' ' LEU . 91.9 mt -64.59 -27.49 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.828 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -46.97 85.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.923 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.3 t -60.24 -45.25 96.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.022 0.439 . . . . 0.0 110.723 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.542 HD12 HD23 ' A' ' 20' ' ' LEU . 97.7 mt -60.65 -42.03 96.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.65 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t -80.58 -32.34 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -54.33 -47.28 72.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.4 0.619 . . . . 0.0 110.138 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HB2' HG13 ' A' ' 28' ' ' VAL . 57.5 mm-40 -88.45 -5.43 58.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.142 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 37.55 58.43 1.33 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 124.309 1.006 . . . . 0.0 111.397 -174.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.3 m -73.41 162.25 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.748 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.2 p -86.81 159.77 51.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.294 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.38 -48.48 18.6 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.864 2.376 . . . . 0.0 112.538 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -56.51 -50.72 71.0 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.627 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' B' ' 7' ' ' TYR . 35.8 tp -62.89 -46.36 88.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.872 -177.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.74 -53.34 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.102 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.5 mt -60.83 -43.54 98.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.458 -176.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.4 ttp -64.65 -40.29 95.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.647 0.261 . . . . 0.0 111.086 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -68.69 -47.34 66.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.765 0.317 . . . . 0.0 110.671 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.0 mt -61.24 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.14 -43.73 93.32 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.847 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -69.12 -36.59 77.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.642 0.258 . . . . 0.0 110.754 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 -46.39 88.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.435 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 37' ' ' LEU . 60.0 t -60.74 -54.14 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.344 177.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.6 m -57.33 -39.23 75.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.708 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -66.74 -36.39 82.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.393 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.9 tt -84.73 -25.73 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.014 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' A' ' 53' ' ' ARG . 57.2 mt -65.55 -33.24 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.373 0.606 . . . . 0.0 109.95 174.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.29 -14.59 61.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.138 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -83.63 -15.67 48.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.417 0.627 . . . . 0.0 109.703 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.1 t -81.1 135.93 50.67 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.379 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -44.41 126.06 6.45 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.886 2.391 . . . . 0.0 112.194 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.524 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 41.9 tt0 -50.99 -34.63 29.91 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.069 -174.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -50.77 -32.52 20.06 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.996 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.02 6.74 9.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.935 0.398 . . . . 0.0 110.554 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.524 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 40.3 ttm180 -67.44 -40.51 85.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.192 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.81 -35.71 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.058 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.19 -51.63 62.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.5 m -63.87 -35.22 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -175.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -75.0 -33.03 28.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.585 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.27 -36.18 68.94 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.603 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -63.5 -46.3 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.419 ' CE2' HG11 ' A' ' 41' ' ' VAL . 52.6 t80 -58.33 -51.49 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.059 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.1 p -65.69 -41.44 92.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.837 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -60.71 -51.42 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.293 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.46 90.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.856 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 68' ' ' VAL . 9.5 mt -49.52 -66.47 0.39 Allowed 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.726 0.641 . . . . 0.0 112.029 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.581 ' HG2' HG22 ' B' ' 57' ' ' VAL . 50.8 mtmt -63.81 -29.03 70.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.497 -174.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -69.19 -39.84 78.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.704 0.288 . . . . 0.0 110.642 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 p -80.93 -10.24 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 111.406 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.542 HG21 HG21 ' B' ' 57' ' ' VAL . 53.4 t -85.93 -41.84 15.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.768 0.318 . . . . 0.0 110.647 176.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 97.9 mt -61.77 -42.92 99.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.461 177.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -125.44 95.6 4.52 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -114.99 40.1 2.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.967 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 65.87 94.88 0.06 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.695 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -76.07 73.74 2.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.437 -171.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -93.85 111.56 23.27 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -66.83 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.042 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.455 -0.783 . . . . 0.0 109.523 177.715 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.8 169.2 22.92 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.534 2.156 . . . . 0.0 111.745 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -82.49 116.37 26.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 31.0 m -62.9 151.89 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.258 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m -87.27 39.29 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.26 0.552 . . . . 0.0 110.631 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -82.49 100.15 9.9 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.619 0.723 . . . . 0.0 110.385 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.444 ' CD1' HD13 ' A' ' 32' ' ' LEU . 27.0 p90 -54.42 151.04 8.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.261 -1.336 . . . . 0.0 112.39 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 5.3 t -101.39 160.24 14.59 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 175.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.79 -36.44 76.72 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -175.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.32 -35.98 70.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.755 0.312 . . . . 0.0 110.656 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.478 ' O ' HG13 ' B' ' 15' ' ' ILE . 9.8 ttt-85 -71.07 -41.86 70.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.928 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.3 -46.98 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.007 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -57.72 -40.2 79.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.695 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -64.68 -49.97 68.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.153 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.523 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 76.5 mt -60.11 -44.15 94.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -175.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.415 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 76.4 mt -59.91 -40.95 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.273 176.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -61.91 -46.88 87.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.653 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.447 ' O ' HG23 ' B' ' 22' ' ' VAL . 15.2 m-20 -64.24 -35.85 82.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.077 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.7 mt -64.01 -44.01 93.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 110.375 175.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 97.9 mt -65.21 -33.68 76.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.374 176.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.44 ' HA ' HG12 ' B' ' 24' ' ' VAL . 0.6 OUTLIER -62.06 -38.65 89.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.815 176.014 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.541 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 95.5 t -62.87 -41.4 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 0.0 110.541 177.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.472 HD22 HG21 ' B' ' 28' ' ' VAL . 84.5 mt -65.52 -35.36 80.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.92 -178.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' B' ' 21' ' ' ASP . 9.7 p -85.01 -19.0 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 120.917 0.389 . . . . 0.0 110.808 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.541 ' HD3' ' HA ' ' B' ' 22' ' ' VAL . 9.9 mtpm? -62.27 -35.87 80.32 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.192 0.52 . . . . 0.0 110.046 172.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.519 ' HG3' HG12 ' A' ' 15' ' ' ILE . 46.5 mm-40 -102.99 -14.52 16.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.66 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 55.2 49.05 18.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.415 0.626 . . . . 0.0 109.899 -173.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.472 HG21 HD22 ' B' ' 23' ' ' LEU . 34.0 m -61.23 148.3 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.161 -175.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 40.3 p -80.77 165.17 47.3 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.442 173.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.438 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 74.9 Cg_exo -50.44 -45.11 36.08 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.287 1.991 . . . . 0.0 111.61 174.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.09 -55.91 24.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.103 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 tp -58.53 -36.03 73.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.131 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.07 -51.69 62.85 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.895 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 85.8 mt -62.07 -42.83 99.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.161 -177.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 32.9 ttp -63.87 -31.83 73.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.546 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 67.8 m -85.0 -49.14 8.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.739 0.304 . . . . 0.0 111.0 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.2 mt -60.67 -54.31 46.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.411 -177.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.4 -33.31 84.16 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.592 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -64.78 -44.23 90.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.138 0.494 . . . . 0.0 109.846 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.05 -39.4 86.93 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.699 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 37' ' ' LEU . 89.9 t -59.5 -47.96 88.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.946 177.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.0 m -64.35 -32.7 74.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.726 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -64.88 -35.83 82.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.394 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.4 mm -76.04 -46.2 34.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.678 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.404 HG21 ' HB ' ' B' ' 57' ' ' VAL . 70.1 mt -61.42 -29.8 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.968 0.413 . . . . 0.0 111.289 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.66 -21.31 65.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.185 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -89.58 -8.63 52.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 0.0 110.392 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.417 HG12 ' HG3' ' B' ' 52' ' ' LYS . 47.8 t -83.64 133.64 46.28 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.371 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -41.91 129.7 4.17 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.29 2.66 . . . . 0.0 112.603 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -49.59 -39.83 36.74 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -170.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 56.2 m -57.75 -52.89 63.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 111.544 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.417 ' HG3' HG12 ' B' ' 48' ' ' VAL . 6.0 ptpp? -87.2 -9.93 53.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.062 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.99 -45.09 91.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.985 0.421 . . . . 0.0 110.655 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.8 t -67.21 -34.3 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.188 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.79 -48.53 45.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.503 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.6 m -65.73 -34.39 70.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -176.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.581 HG22 ' HG2' ' A' ' 65' ' ' LYS . 13.3 p -73.02 -35.07 47.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.524 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.53 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 32.6 t70 -67.33 -44.37 79.27 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -61.93 -36.97 82.95 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.319 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -61.14 -53.48 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.081 177.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 41.2 p -64.66 -35.06 79.8 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.129 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.2 -56.25 23.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.412 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.25 81.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.99 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.487 ' O ' HG23 ' B' ' 68' ' ' VAL . 13.6 mt -53.13 -63.04 1.28 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.408 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.401 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 41.5 mtmt -65.6 -30.22 70.92 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.521 -174.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.87 -48.89 77.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.821 0.343 . . . . 0.0 110.961 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.1 p -75.63 -26.96 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.66 -176.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 64' ' ' LEU . 59.2 t -66.04 -38.52 82.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.709 0.29 . . . . 0.0 110.78 176.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 88.1 mt -69.95 -26.03 63.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.976 0.417 . . . . 0.0 111.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -94.69 -68.93 0.77 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 52.04 74.97 0.24 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.096 -173.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -87.27 56.44 3.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.39 -173.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -95.38 76.2 3.36 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -158.85 49.54 0.36 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.356 -175.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -85.03 61.9 7.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.959 0.885 . . . . 0.0 110.081 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 114.349 -1.296 . . . . 0.0 108.687 179.155 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.94 117.1 4.1 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.8 mt -87.25 98.2 7.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.901 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 79.7 t 73.04 130.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.407 0.622 . . . . 0.0 110.913 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 t -81.63 -171.17 3.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.503 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -77.58 -23.11 50.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.985 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -82.9 105.23 13.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.251 0.548 . . . . 0.0 110.492 176.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.6 t -70.15 158.28 36.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.492 -178.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.51 -49.97 74.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.99 -33.22 72.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.912 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.551 ' O ' HG13 ' A' ' 15' ' ' ILE . 60.1 ttt85 -67.1 -45.2 77.94 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 8' ' ' SER . 80.1 t -55.38 -45.63 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.014 0.435 . . . . 0.0 110.489 178.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.89 -40.74 85.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.942 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' A' ' 17' ' ' GLN . 55.9 mttp -79.32 -22.63 44.26 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 11' ' ' ARG . 81.8 mt -65.65 -46.4 89.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.49 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 67.6 mt -61.51 -42.69 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.894 175.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.508 ' HB3' ' HA ' ' A' ' 14' ' ' LYS . 54.3 tp60 -59.39 -48.65 80.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.138 177.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.91 -37.11 70.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.024 0.44 . . . . 0.0 110.555 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 97.7 mt -65.84 -42.57 90.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.609 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.5 mt -64.81 -37.7 88.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.746 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.91 -41.77 83.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.555 175.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.78 -44.41 93.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.095 0.474 . . . . 0.0 110.572 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 95.7 mt -61.59 -37.36 83.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.66 -178.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.79 -30.42 16.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.787 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -65.37 -38.66 90.72 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.992 0.425 . . . . 0.0 110.721 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.536 ' HA ' HH21 ' B' ' 11' ' ' ARG . 78.8 mm-40 -83.15 -14.94 52.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.153 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 56.78 48.84 15.39 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.234 0.54 . . . . 0.0 110.848 -177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.767 ' HA ' HD23 ' A' ' 32' ' ' LEU . 34.6 m -70.77 140.9 17.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.894 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.538 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 9.5 p -92.01 168.44 13.0 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.737 173.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 93.5 Cg_exo -45.26 -58.31 1.67 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.948 2.432 . . . . 0.0 113.462 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.69 -40.32 94.57 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 111.216 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.767 HD23 ' HA ' ' A' ' 28' ' ' VAL . 58.6 tp -65.17 -47.1 78.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.378 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.92 -49.46 77.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.139 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.04 -37.81 83.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.3 ttp -65.55 -45.75 82.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HA ' HG12 ' B' ' 16' ' ' ILE . 72.2 m -70.41 -45.46 65.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.181 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.557 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.8 mt -62.22 -44.06 97.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.697 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.59 -45.04 90.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.211 -0.519 . . . . 0.0 112.373 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -66.76 -36.29 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.998 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.62 84.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.683 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 37' ' ' LEU . 62.8 t -61.35 -40.92 87.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.595 178.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.2 m -55.32 -46.99 76.31 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 40.9 t30 -60.01 -43.22 95.38 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.719 0.295 . . . . 0.0 110.919 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -65.93 -47.84 83.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.092 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.534 HD13 ' HB ' ' A' ' 57' ' ' VAL . 58.6 mt -67.8 -30.16 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.823 0.344 . . . . 0.0 111.263 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.05 -23.71 67.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.969 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 72.7 mt-30 -82.03 -10.45 59.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.466 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 41.1 t -79.29 136.71 56.57 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.896 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.07 148.2 93.51 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.531 2.154 . . . . 0.0 112.78 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' CD ' HH21 ' A' ' 53' ' ' ARG . 3.4 tp10 -51.16 -33.06 25.35 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.573 -173.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -53.24 -43.3 67.21 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.774 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.57 2.74 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.808 -174.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 37.6 ttp180 -64.9 -34.42 78.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.821 -175.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.32 -30.48 8.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.381 0.61 . . . . 0.0 109.826 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -40.3 74.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.524 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.68 -40.4 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.534 ' HB ' HD13 ' A' ' 45' ' ' ILE . 7.3 p -70.06 -33.83 56.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.621 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -65.68 -47.53 75.14 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -61.77 -38.05 86.57 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.586 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.76 -51.31 70.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.175 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.574 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 51.7 p -65.64 -35.64 81.39 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.249 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -61.6 -50.28 73.22 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.339 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.28 90.49 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.469 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.19 -60.56 3.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.039 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -61.2 -37.21 82.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.105 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -59.78 -48.8 80.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.093 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 m -72.36 -26.91 62.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.439 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -77.68 -46.01 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.433 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.5 mt -65.79 -34.91 79.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 111.386 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -72.57 -68.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 26.49 -100.22 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.733 1.271 . . . . 0.0 113.328 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.4 m80 37.64 -100.96 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.755 0.822 . . . . 0.0 111.644 -173.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -130.15 120.02 23.91 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -76.24 85.8 3.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.566 0.698 . . . . 0.0 110.652 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -136.34 130.06 32.29 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.83 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.9 t60 . . . . . 0 C--N 1.315 -0.929 0 CA-C-O 118.688 -0.672 . . . . 0.0 110.043 -176.762 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.709 0.29 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.71 121.09 7.09 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.625 2.217 . . . . 0.0 112.956 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt -99.33 -170.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.562 174.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 48.1 t -65.02 105.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.116 0.484 . . . . 0.0 109.811 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -124.13 -165.36 1.35 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.673 -174.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -96.28 17.16 16.46 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.067 0.46 . . . . 0.0 110.023 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 61.55 -167.68 0.19 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.706 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -96.54 117.79 31.67 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 174.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.412 ' HA ' ' HB ' ' B' ' 12' ' ' VAL . 48.7 m-80 -59.4 -26.74 65.39 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.279 0.362 . . . . 0.0 111.145 -173.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -55.7 -56.19 23.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.966 0.412 . . . . 0.0 110.142 173.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.551 ' O ' HG13 ' B' ' 15' ' ' ILE . 64.8 ttt180 -69.23 -35.09 75.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.592 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.438 ' O ' HG13 ' B' ' 16' ' ' ILE . 78.5 t -55.77 -45.02 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.878 0.371 . . . . 0.0 110.08 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -72.05 -32.6 67.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.613 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -55.58 -45.37 77.39 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.551 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.0 mt -60.2 -47.38 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.345 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.484 HG12 ' HA ' ' A' ' 36' ' ' CYS . 64.5 mt -57.95 -49.28 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 178.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -65.11 -35.88 82.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.968 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -67.22 -42.77 83.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 109.827 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 96.2 mt -62.74 -43.72 98.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.589 176.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.545 HD23 HD12 ' B' ' 23' ' ' LEU . 95.9 mt -64.82 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.253 0.549 . . . . 0.0 110.252 176.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 4.0 t70 -69.2 -36.76 77.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.831 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.555 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 99.5 t -67.16 -38.61 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.255 173.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.545 HD12 HD23 ' B' ' 20' ' ' LEU . 85.7 mt -62.85 -35.76 81.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.006 178.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.74 -22.45 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.483 177.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.555 ' HD3' ' HA ' ' B' ' 22' ' ' VAL . 9.5 mtpm? -55.67 -51.8 66.03 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.979 0.418 . . . . 0.0 110.459 172.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.52 ' HG3' HG12 ' A' ' 15' ' ' ILE . 14.3 mm-40 -89.22 -8.26 53.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.054 -175.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 53.42 68.57 0.82 Allowed 'General case' 0 N--CA 1.463 0.192 0 O-C-N 124.025 0.828 . . . . 0.0 110.923 -172.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.673 ' HA ' HD23 ' B' ' 32' ' ' LEU . 32.4 m -81.8 137.95 20.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.485 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 40.4 p -83.56 168.05 24.67 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 74.2 Cg_exo -49.01 -47.53 21.34 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.256 1.97 . . . . 0.0 112.358 177.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.27 -52.95 63.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.224 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' B' ' 28' ' ' VAL . 59.5 tp -62.0 -41.29 97.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.104 -178.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.7 -51.75 68.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.357 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.72 -39.1 90.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.717 0.294 . . . . 0.0 111.094 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 47.8 ttp -66.12 -32.79 74.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.162 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 69.3 m -82.98 -46.56 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.883 0.373 . . . . 0.0 110.771 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.616 ' O ' HG23 ' B' ' 41' ' ' VAL . 94.0 mt -63.72 -52.81 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.443 -177.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.33 -30.32 73.8 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.074 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' B' ' 35' ' ' MET . 23.0 t-20 -69.31 -46.64 66.64 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.431 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -62.8 -39.99 95.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.824 177.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.616 HG23 ' O ' ' B' ' 37' ' ' LEU . 98.0 t -57.63 -49.54 80.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.099 176.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 41.1 m -61.61 -37.63 84.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -63.89 -33.14 75.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.004 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.431 HG12 ' O ' ' B' ' 40' ' ' ALA . 46.9 mm -79.41 -45.34 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.689 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.515 HG22 ' HG3' ' B' ' 53' ' ' ARG . 58.9 mt -63.42 -28.3 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.206 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -13.06 61.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.462 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -93.03 -2.6 55.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.299 0.571 . . . . 0.0 110.158 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -97.49 134.34 22.67 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.758 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.31 136.35 19.4 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.082 2.521 . . . . 0.0 112.282 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.469 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 24.6 mt-10 -58.48 -35.46 72.23 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -169.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 43.3 m -61.36 -26.18 67.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.773 0.32 . . . . 0.0 111.604 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -116.94 -3.97 11.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.945 0.402 . . . . 0.0 110.644 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.515 ' HG3' HG22 ' B' ' 45' ' ' ILE . 42.4 ttm180 -63.79 -42.18 97.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.55 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.46 -31.9 55.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.396 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.58 -46.52 46.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.487 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.46 -36.38 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.413 ' HB ' HD13 ' B' ' 45' ' ' ILE . 8.7 p -71.14 -36.98 64.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.407 178.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.18 -46.75 73.02 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -55.39 -41.11 72.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.623 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -61.64 -51.17 69.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.261 177.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.574 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 56.0 p -64.24 -37.95 89.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.491 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.11 -44.81 75.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.258 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.81 87.99 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.471 ' O ' HG23 ' B' ' 68' ' ' VAL . 40.3 mt -56.68 -54.74 42.66 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.546 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -52.96 -49.04 66.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.999 0.428 . . . . 0.0 111.042 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -61.47 -50.89 70.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.117 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 34.1 p -67.38 -27.97 67.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 64' ' ' LEU . 77.2 t -69.39 -38.59 77.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 175.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.47 -35.91 65.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.054 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' B' ' 71' ' ' HIS . 30.6 mm-40 -82.62 -26.2 32.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.727 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' HIS . . . . . 0.425 ' HB3' ' O ' ' B' ' 70' ' ' GLU . 50.6 t60 72.84 -52.47 0.71 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.564 0.746 . . . . 0.0 110.724 -174.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -103.58 126.58 50.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.564 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -72.84 122.36 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.442 176.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -109.52 -36.79 5.88 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.428 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -146.41 -12.89 0.46 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.078 0.466 . . . . 0.0 110.847 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 74.2 m80 . . . . . 0 C--O 1.246 0.919 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.39 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.772 0.32 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.08 152.16 50.69 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.935 2.424 . . . . 0.0 112.319 -177.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 tt -88.23 160.18 2.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.466 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.8 m -73.74 20.12 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -174.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -70.18 -27.62 64.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.879 0.371 . . . . 0.0 110.737 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -89.65 28.45 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.244 0.545 . . . . 0.0 110.149 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.409 ' HB2' ' H ' ' A' ' 8' ' ' SER . 5.9 m-85 58.95 -102.8 0.15 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.668 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.409 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 5.4 p -159.89 124.59 3.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.932 177.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -62.99 -32.54 73.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.255 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -53.96 -42.54 69.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.096 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.508 ' O ' HG13 ' A' ' 15' ' ' ILE . 72.0 ttt180 -72.97 -40.27 65.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.446 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 16' ' ' ILE . 83.5 t -55.89 -51.16 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.609 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -60.31 -37.68 81.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -65.96 -48.43 71.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.378 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 11' ' ' ARG . 70.8 mt -60.79 -42.23 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.562 0.22 . . . . 0.0 111.046 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.442 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.4 mt -59.9 -46.33 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 110.151 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.31 -40.98 97.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.434 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -39.34 93.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.416 HD13 HD23 ' B' ' 37' ' ' LEU . 95.9 mt -66.41 -42.34 87.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.455 176.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 96.3 mt -63.11 -39.58 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.377 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -63.1 -31.26 72.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.0 -46.88 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.13 -37.14 84.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.3 t -75.38 -34.26 29.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.01 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 25' ' ' LYS . 2.2 tmmt? -63.25 -37.65 88.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.086 0.47 . . . . 0.0 110.029 177.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.509 ' HG3' HG12 ' B' ' 15' ' ' ILE . 70.3 mm-40 -79.29 -26.22 42.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.589 175.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 61.01 60.95 1.71 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.62 0.724 . . . . 0.0 109.607 -172.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.444 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.2 m -83.0 160.44 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.593 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.431 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 56.8 p -90.27 168.75 13.63 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 50.0 Cg_exo -54.05 -42.79 64.01 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.007 1.805 . . . . 0.0 111.2 172.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.76 -51.31 65.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.855 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.532 HD11 HG22 ' B' ' 12' ' ' VAL . 40.9 tp -63.44 -39.16 93.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.783 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.33 -53.11 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.948 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.98 -42.36 94.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.5 ttp -63.31 -42.06 98.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.963 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.6 m -70.52 -46.16 64.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.786 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.557 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.0 mt -61.29 -43.45 98.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.32 -45.2 94.54 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.461 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.427 ' HA ' HG22 ' A' ' 42' ' ' THR . 28.0 m-80 -67.78 -33.15 74.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.685 178.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.57 -42.76 91.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.68 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.0 t -65.24 -47.22 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 39' ' ' ASN . 11.9 t -65.79 -24.72 66.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.228 -176.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -76.89 -19.25 57.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.75 0.309 . . . . 0.0 110.975 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.4 mm -86.96 -43.09 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.239 0.542 . . . . 0.0 109.835 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.588 HG22 ' HG3' ' A' ' 53' ' ' ARG . 47.7 mt -69.72 -19.84 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.739 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.44 -9.49 58.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.739 0.304 . . . . 0.0 111.381 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -84.51 -13.99 50.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.383 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.51 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 27.6 m -100.47 159.95 28.29 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.674 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.51 ' HD2' ' HB ' ' A' ' 48' ' ' VAL . 13.8 Cg_endo -56.7 146.6 76.13 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.963 2.442 . . . . 0.0 112.027 177.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -53.96 -40.5 66.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.231 -173.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.4 m -57.38 -50.36 73.21 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.921 0.391 . . . . 0.0 111.257 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' ' 56' ' ' VAL . 99.2 mttt -74.79 -29.88 61.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.956 0.407 . . . . 0.0 110.349 178.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.588 ' HG3' HG22 ' A' ' 45' ' ' ILE . 39.5 ttm180 -52.59 -48.55 66.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.678 -176.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.68 -43.64 90.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.582 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.27 83.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.987 0.422 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 52' ' ' LYS . 70.0 t -65.66 -49.07 80.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.51 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.0 p -66.87 -34.6 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.152 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -35.77 81.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.178 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -73.52 -39.93 64.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.88 0.372 . . . . 0.0 110.608 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -63.46 -46.79 84.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.405 HG22 HG22 ' B' ' 61' ' ' THR . 20.4 p -64.46 -34.84 79.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.085 -178.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -63.39 -48.37 78.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.325 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.88 75.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.196 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 68' ' ' VAL . 32.4 mt -61.79 -55.43 30.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.296 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -62.53 -36.68 83.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.795 0.331 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -60.6 -47.11 87.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.114 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 p -74.02 -32.62 63.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.558 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 64' ' ' LEU . 73.5 t -69.26 -44.93 80.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.693 0.282 . . . . 0.0 110.954 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.55 -33.92 76.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.968 0.413 . . . . 0.0 110.625 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -84.7 5.23 29.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.438 0.637 . . . . 0.0 110.246 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.53 -8.2 38.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.879 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -77.92 104.42 8.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.645 176.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.8 t60 50.34 75.17 0.18 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.644 0.59 . . . . 0.0 110.184 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -77.46 130.12 36.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -129.76 94.22 3.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.49 0.662 . . . . 0.0 110.772 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 117.905 -1.045 . . . . 0.0 108.813 177.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.9 mtt . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.426 0.155 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.39 -83.56 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.456 2.104 . . . . 0.0 110.516 170.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.8 mt 51.87 40.64 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-O 121.554 0.692 . . . . 0.0 111.133 173.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.426 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 6.0 m -68.26 123.6 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.404 177.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.4 m -56.44 -66.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.887 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -133.16 34.59 3.55 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 174.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.426 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 50.2 m-85 73.59 153.51 0.14 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.949 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.41 ' O ' HG23 ' B' ' 12' ' ' VAL . 62.3 m -94.61 130.99 40.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.286 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -55.85 -44.35 77.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.423 -176.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -56.87 -46.95 81.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.468 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.601 ' O ' HG13 ' B' ' 15' ' ' ILE . 40.2 ttt85 -63.76 -49.67 72.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.887 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.532 HG22 HD11 ' A' ' 32' ' ' LEU . 91.0 t -58.86 -50.03 80.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.469 -178.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' B' ' 16' ' ' ILE . 38.3 mt-10 -67.15 -30.89 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.287 -177.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -68.25 -35.37 77.8 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.236 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.601 HG13 ' O ' ' B' ' 11' ' ' ARG . 65.9 mt -62.71 -46.91 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' B' ' 13' ' ' GLU . 53.0 mt -59.32 -47.2 91.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.357 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -62.36 -38.25 88.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.953 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.46 -36.14 71.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 110.211 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 98.3 mt -62.56 -46.34 88.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.886 173.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.475 HD23 HD12 ' B' ' 23' ' ' LEU . 96.4 mt -63.64 -31.66 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.359 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.77 -41.51 99.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.407 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.476 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 57.7 t -66.3 -33.18 61.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.185 0.517 . . . . 0.0 110.309 176.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.475 HD12 HD23 ' B' ' 20' ' ' LEU . 87.6 mt -67.75 -37.87 82.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 62.9 t -74.02 -35.6 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.063 0.459 . . . . 0.0 110.055 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 60.8 tttt -51.08 -45.91 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.86 174.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.46 ' HB2' HG13 ' B' ' 28' ' ' VAL . 46.6 mm-40 -92.08 -9.04 44.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.569 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 55.46 45.66 24.72 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.248 0.547 . . . . 0.0 109.884 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.46 HG13 ' HB2' ' B' ' 26' ' ' GLU . 34.1 m -63.89 151.44 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.185 -173.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.443 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 23.0 p -93.46 167.92 13.02 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.02 172.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 74.5 Cg_exo -50.53 -43.52 44.58 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.233 1.955 . . . . 0.0 112.185 176.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.77 -55.94 27.91 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.317 177.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.7 tp -67.22 -40.27 86.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.159 -174.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.12 -55.99 23.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.135 -177.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.1 -35.19 80.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.173 -176.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttp -63.39 -48.51 77.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -69.95 -40.19 75.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.544 ' O ' HG23 ' B' ' 41' ' ' VAL . 80.8 mt -62.66 -44.59 95.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.675 0.274 . . . . 0.0 110.852 178.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.27 -44.33 96.59 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.66 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.467 ' HA ' HG22 ' B' ' 42' ' ' THR . 29.1 m-80 -66.03 -32.14 73.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.985 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.39 -43.53 77.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.369 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 37' ' ' LEU . 57.3 t -65.15 -46.92 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.467 HG22 ' HA ' ' B' ' 39' ' ' ASN . 12.2 t -67.2 -23.0 65.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.965 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 67.3 t30 -75.26 -39.53 59.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.185 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -69.39 -41.82 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.24 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.547 HG22 ' HG3' ' B' ' 53' ' ' ARG . 67.6 mt -66.48 -22.92 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.48 -1.8 47.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.293 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 77.2 mt-30 -99.65 -15.18 18.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.823 0.345 . . . . 0.0 111.086 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.485 ' HB ' ' HD2' ' B' ' 52' ' ' LYS . 30.1 m -94.95 153.22 39.94 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.528 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.475 ' HG2' ' HG2' ' B' ' 52' ' ' LYS . 9.9 Cg_endo -52.3 142.92 45.18 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.03 2.486 . . . . 0.0 111.915 177.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.507 ' HA ' ' CB ' ' B' ' 53' ' ' ARG . 32.2 mt-10 -63.59 -24.91 68.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.801 -174.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -56.73 -43.87 81.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.433 . . . . 0.0 110.609 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.485 ' HD2' ' HB ' ' B' ' 48' ' ' VAL . 19.4 ptpt -96.78 -15.86 21.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.561 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.547 ' HG3' HG22 ' B' ' 45' ' ' ILE . 42.1 ttm180 -57.86 -42.58 84.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.49 -175.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.95 -34.62 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.156 0.503 . . . . 0.0 110.34 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.33 -42.84 58.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.743 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.04 -35.65 75.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -176.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.542 ' HB ' HD13 ' B' ' 45' ' ' ILE . 7.1 p -76.62 -33.82 22.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.319 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' B' ' 62' ' ' LYS . 29.8 t70 -65.97 -44.21 85.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.919 0.39 . . . . 0.0 110.175 177.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -73.35 -29.28 62.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.033 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.57 -53.55 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.405 HG22 HG22 ' A' ' 61' ' ' THR . 24.3 p -65.16 -38.57 90.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.766 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.55 ' HB2' ' HE3' ' B' ' 62' ' ' LYS . 23.6 ttmt -56.91 -47.34 80.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.001 173.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.1 -32.79 72.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.391 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 61' ' ' THR . 58.0 mt -58.54 -49.48 77.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.679 0.276 . . . . 0.0 110.467 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.539 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 47.2 mttm -59.24 -42.77 91.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.867 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -61.04 -46.36 91.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.325 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.8 p -74.59 -30.34 61.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.758 -175.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -71.0 -31.57 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.661 0.267 . . . . 0.0 111.284 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 80.6 mt -61.42 -53.29 58.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.607 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' B' ' 72' ' ' HIS . 35.6 mt-10 -101.32 -56.72 2.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 111.731 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 71.51 -14.54 0.48 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.181 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.443 ' H ' ' C ' ' B' ' 70' ' ' GLU . 36.9 m80 -79.34 -38.73 34.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.242 0.544 . . . . 0.0 109.849 176.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -133.85 152.47 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.004 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -89.37 62.7 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.016 0.912 . . . . 0.0 108.743 169.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -82.99 143.55 30.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.382 -1.281 . . . . 0.0 110.74 -173.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.249 179.743 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.485 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 66.4 mtt . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 1.7 Cg_endo -83.42 171.88 10.82 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.279 2.653 . . . . 0.0 111.479 177.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -88.15 114.49 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.1 153.45 8.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.649 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -146.6 -156.34 0.7 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.045 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.7 tptm 82.68 -5.46 1.33 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.768 0.827 . . . . 0.0 111.262 172.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 62.95 -166.57 0.22 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.379 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 12' ' ' VAL . 32.6 t -82.84 116.04 21.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.893 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -56.1 -43.32 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.391 0.432 . . . . 0.0 110.571 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.6 mp0 -58.88 -44.94 91.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.511 178.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.528 ' O ' HG13 ' A' ' 15' ' ' ILE . 74.1 ttt180 -66.26 -42.96 87.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.735 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 8' ' ' SER . 95.2 t -57.05 -48.46 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.703 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.2 -38.42 91.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.938 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -63.16 -42.42 99.41 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.635 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 11' ' ' ARG . 80.0 mt -62.12 -46.14 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.734 0.302 . . . . 0.0 110.513 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.473 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.6 mt -58.67 -46.01 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.276 177.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -65.33 -38.54 90.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.671 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -62.78 -40.68 98.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.247 0.546 . . . . 0.0 109.842 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.65 -43.24 90.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.596 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.6 mt -61.7 -35.23 77.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.632 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 24.5 m-20 -59.2 -43.33 92.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.277 176.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.97 -43.61 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.076 0.465 . . . . 0.0 110.701 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 HD23 ' A' ' 20' ' ' LEU . 90.7 mt -62.07 -41.73 98.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.357 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.0 t -75.02 -33.11 28.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.083 0.468 . . . . 0.0 110.516 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 34.8 ttmt -60.33 -40.12 89.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.554 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.519 ' HG3' HG12 ' B' ' 15' ' ' ILE . 67.5 mm-40 -88.84 -7.43 56.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.87 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 52.36 53.13 12.86 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.766 -174.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.72 137.93 23.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.443 0.639 . . . . 0.0 111.645 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.598 HG22 ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -83.36 151.02 61.76 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.958 174.385 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.866 ' HB3' HG22 ' B' ' 48' ' ' VAL . 2.7 Cg_exo -36.35 -58.57 0.49 Allowed 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.919 3.08 . . . . 0.0 113.554 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.0 -52.8 59.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.408 ' HB2' ' CZ ' ' B' ' 7' ' ' TYR . 66.8 tp -59.61 -44.71 93.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.274 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.7 76.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.157 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 99.1 mt -59.33 -42.87 92.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.7 ttp -61.85 -44.3 97.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.6 m -68.89 -48.08 64.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.823 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 41' ' ' VAL . 98.0 mt -60.96 -42.42 98.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.82 96.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.915 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -66.82 -36.51 82.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.685 0.243 . . . . 0.0 111.092 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.95 -47.36 80.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.56 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 37' ' ' LEU . 48.3 t -60.87 -50.87 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.524 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.0 m -57.52 -29.94 64.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.778 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -75.84 -46.7 28.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.333 -0.229 . . . . 0.0 111.272 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 tt -74.71 -26.53 19.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.498 -174.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 41' ' ' VAL . 70.4 mt -65.53 -29.49 47.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.032 0.444 . . . . 0.0 110.308 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.1 -21.05 63.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -78.69 -24.2 45.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.947 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' B' ' 30' ' ' PRO . 19.4 t -72.08 135.98 82.31 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.557 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HG2' ' HD3' ' A' ' 52' ' ' LYS . 10.1 Cg_endo -54.91 139.16 78.87 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.821 2.347 . . . . 0.0 111.747 177.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -52.69 -35.41 55.38 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.337 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 t -54.81 -30.06 56.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.492 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.498 ' HG3' HG12 ' A' ' 48' ' ' VAL . 20.2 ptmt -125.03 2.24 7.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.842 0.353 . . . . 0.0 111.072 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -68.73 -34.5 75.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.5 t -75.92 -40.8 38.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.28 93.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.761 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.33 -35.85 75.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.672 HG22 ' HG2' ' B' ' 65' ' ' LYS . 14.0 p -78.93 -35.53 17.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.84 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.76 -50.46 72.28 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.992 0.425 . . . . 0.0 110.168 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -67.21 -28.79 68.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.185 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -62.74 -52.63 62.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.043 0.449 . . . . 0.0 109.889 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.464 HG21 ' HG3' ' B' ' 65' ' ' LYS . 47.0 p -67.41 -31.54 71.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.848 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -60.63 -54.46 45.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.231 174.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.14 99.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.887 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 68' ' ' VAL . 16.8 mt -53.19 -68.78 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.528 ' HD3' ' HA ' ' B' ' 58' ' ' ASP . 53.7 mtmt -63.1 -38.49 91.38 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -172.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -64.83 -41.87 95.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.703 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -70.57 -36.7 73.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.73 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 64' ' ' LEU . 74.9 t -66.83 -31.83 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 111.142 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.4 mt -71.09 -35.03 71.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.92 0.391 . . . . 0.0 110.582 176.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -77.65 -47.0 20.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.128 0.49 . . . . 0.0 110.742 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -90.26 24.59 2.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.757 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -54.35 -42.71 70.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.008 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.57 104.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.714 174.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -76.68 69.54 3.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.497 0.665 . . . . 0.0 110.326 -177.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -89.88 -31.12 17.46 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.97 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 . . . . . 0 C--O 1.25 1.112 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.493 174.882 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -85.61 -166.41 0.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 123.107 2.538 . . . . 0.0 112.154 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 67.9 mt -71.04 102.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.339 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.52 131.01 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.224 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -133.88 -54.05 0.87 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.411 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -99.35 16.47 22.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.295 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 79.7 m-85 61.27 -158.86 0.33 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.709 -176.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.416 ' O ' HG23 ' B' ' 12' ' ' VAL . 20.6 m -100.08 113.79 26.67 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 171.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -63.63 -24.55 67.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.688 0.28 . . . . 0.0 110.469 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.34 -44.49 95.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.127 172.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.566 ' O ' HG13 ' B' ' 15' ' ' ILE . 31.9 ttt180 -73.1 -36.86 66.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.377 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 8' ' ' SER . 62.6 t -58.3 -44.3 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -61.61 -41.66 97.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.855 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -58.91 -50.03 75.56 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.738 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.3 mt -57.65 -48.25 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.764 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.54 -43.82 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.396 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -64.62 -38.65 91.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.131 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.91 -37.06 81.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.604 0.24 . . . . 0.0 110.839 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 94.8 mt -62.17 -48.26 80.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.954 0.407 . . . . 0.0 109.978 175.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.436 HD23 HD12 ' B' ' 23' ' ' LEU . 95.5 mt -65.3 -32.23 73.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.342 177.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -60.82 -44.53 96.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.646 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.63 -36.18 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.172 0.51 . . . . 0.0 110.427 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.581 HD22 HG21 ' B' ' 28' ' ' VAL . 81.7 mt -66.16 -36.49 83.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.712 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 20' ' ' LEU . 92.1 t -76.07 -38.33 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.267 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -52.24 -44.31 64.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.175 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.488 ' HG3' HG12 ' A' ' 15' ' ' ILE . 54.1 mm-40 -89.82 -13.95 35.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.026 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 50.65 57.14 6.95 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.394 0.616 . . . . 0.0 109.965 -170.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.581 HG21 HD22 ' B' ' 23' ' ' LEU . 22.4 m -70.6 161.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.362 -175.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 60.4 p -93.41 163.37 24.97 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.276 173.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.518 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 84.4 Cg_exo -48.71 -48.08 18.83 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.219 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.35 -43.93 93.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.982 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.91 -40.95 95.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.79 79.16 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.855 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 94.6 mt -59.09 -44.46 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 48.0 ttp -62.5 -39.92 95.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.261 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m -74.44 -49.17 23.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.758 0.313 . . . . 0.0 111.161 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.596 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.8 mt -63.44 -50.27 70.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.65 -34.96 91.13 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.593 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' B' ' 35' ' ' MET . 22.4 t-20 -67.97 -41.55 82.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.491 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -63.93 -44.17 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.908 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 37' ' ' LEU . 94.3 t -56.73 -40.37 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.637 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 54.7 m -59.59 -40.13 86.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.245 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -78.63 -22.84 46.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.247 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.491 HG12 ' O ' ' B' ' 40' ' ' ALA . 38.6 mm -74.31 -45.18 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.92 0.39 . . . . 0.0 110.34 177.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.533 HD13 ' HB ' ' B' ' 57' ' ' VAL . 77.8 mt -63.17 -26.97 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.793 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.72 -16.97 62.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -91.39 -25.59 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.24 0.543 . . . . 0.0 110.119 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.866 HG22 ' HB3' ' A' ' 30' ' ' PRO . 34.5 t -64.83 141.89 98.45 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.527 176.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.531 ' HB2' ' HG2' ' B' ' 52' ' ' LYS . 68.9 Cg_exo -39.49 125.84 1.43 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.177 2.585 . . . . 0.0 112.891 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.485 ' HA ' ' HG3' ' B' ' 53' ' ' ARG . 29.3 tt0 -54.48 -38.89 66.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.544 -171.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -62.45 -25.27 67.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.531 ' HG2' ' HB2' ' B' ' 49' ' ' PRO . 19.4 ptpt -110.38 2.32 18.96 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.842 -176.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.485 ' HG3' ' HA ' ' B' ' 50' ' ' GLU . 84.5 mtt180 -58.87 -42.65 89.94 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.609 0.242 . . . . 0.0 111.625 -176.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.61 -36.19 73.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.296 0.57 . . . . 0.0 110.524 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.24 -47.63 60.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.241 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.38 -34.19 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -176.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.533 ' HB ' HD13 ' B' ' 45' ' ' ILE . 12.3 p -73.89 -36.96 46.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.971 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.528 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 36.8 t70 -71.69 -43.32 66.17 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.208 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -62.86 -32.84 74.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.143 175.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -62.94 -51.69 65.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.685 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 50.2 p -65.11 -35.42 81.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.242 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -58.91 -58.04 10.4 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.578 174.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.17 84.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.472 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.427 ' O ' HG23 ' B' ' 68' ' ' VAL . 9.3 mt -53.68 -66.41 0.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.425 177.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.672 ' HG2' HG22 ' A' ' 57' ' ' VAL . 41.5 mtmt -69.16 -19.33 64.0 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.349 -173.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -68.26 -43.81 77.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.985 0.422 . . . . 0.0 110.107 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.0 m -87.37 -18.82 29.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.623 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 64' ' ' LEU . 54.5 t -82.12 -50.02 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.67 -49.97 71.1 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.947 0.403 . . . . 0.0 110.461 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.87 86.18 2.85 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 172.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -99.82 139.32 35.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.331 -169.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -74.26 142.52 45.29 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -102.79 115.43 30.57 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -175.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -116.45 96.48 5.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.752 0.787 . . . . 0.0 109.801 177.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -161.23 108.07 1.44 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.965 -175.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.585 -0.722 . . . . 0.0 109.912 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.665 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 119.681 -0.2 . . . . 0.0 110.563 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.665 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 86.1 Cg_endo -78.59 179.69 6.26 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 121.823 1.682 . . . . 0.0 112.245 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.2 tt -84.31 129.84 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.151 0.5 . . . . 0.0 110.667 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.4 t -81.74 -29.67 10.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.21 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m 63.6 56.22 1.61 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.018 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -87.22 -31.04 20.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.536 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 65.09 -169.16 0.2 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.439 -178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 m -113.85 139.15 49.4 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.674 176.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -54.71 -38.2 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.716 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.74 -30.98 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.445 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.576 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.6 ttt-85 -69.64 -47.97 61.55 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.69 -39.48 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.446 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -55.39 -48.72 73.9 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.225 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -63.41 -45.31 91.57 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.491 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 11' ' ' ARG . 72.4 mt -56.47 -47.95 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.641 0.257 . . . . 0.0 110.826 -177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.87 -40.55 87.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.06 0.457 . . . . 0.0 110.171 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -62.81 -47.83 81.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.367 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.43 -44.93 85.06 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.903 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 82.4 mt -60.63 -52.4 65.33 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.253 0.549 . . . . 0.0 110.822 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 23' ' ' LEU . 84.8 mt -65.25 -33.63 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.398 -178.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -62.66 -44.76 95.45 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.41 -43.03 93.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.28 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.422 HD12 HD23 ' A' ' 20' ' ' LEU . 98.7 mt -61.75 -47.3 85.84 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.083 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 20' ' ' LEU . 96.0 t -67.32 -38.34 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.832 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -58.12 -43.65 87.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.143 0.497 . . . . 0.0 110.658 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -79.56 -6.48 57.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.328 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.25 43.07 29.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.0 m -65.97 146.36 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.04 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 p -81.35 161.74 61.19 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.497 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 52.0 Cg_exo -53.82 -36.09 81.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 121.845 1.696 . . . . 0.0 110.971 174.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.45 -55.14 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.608 176.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.622 HD11 HG22 ' B' ' 12' ' ' VAL . 53.1 tp -62.72 -40.83 98.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.154 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB3' HG21 ' B' ' 44' ' ' ILE . . . -60.74 -45.06 95.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.291 -178.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.5 mt -64.22 -37.59 88.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.727 0.298 . . . . 0.0 110.898 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.5 ttp -68.02 -30.12 69.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.762 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.3 m -81.71 -50.21 9.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.9 0.381 . . . . 0.0 110.592 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.8 mt -64.9 -50.24 67.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.561 -176.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.59 82.04 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.208 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -70.21 -42.15 72.7 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -61.91 -43.74 98.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.667 176.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 37' ' ' LEU . 78.2 t -57.48 -47.83 84.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.27 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.4 m -61.25 -35.63 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.93 -25.79 60.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.597 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 40' ' ' ALA . 40.0 mm -83.69 -45.0 18.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.025 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.467 HD13 ' HB ' ' A' ' 57' ' ' VAL . 64.7 mt -62.33 -26.86 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 121.089 0.471 . . . . 0.0 111.084 -178.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.2 -22.88 65.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.448 . . . . 0.0 110.892 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -93.04 -8.86 41.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.254 0.549 . . . . 0.0 110.449 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.635 HG22 ' HB3' ' B' ' 30' ' ' PRO . 58.3 t -79.16 136.01 57.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.662 178.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -59.23 140.81 96.45 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.681 2.254 . . . . 0.0 111.982 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.8 -32.7 20.82 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.156 -176.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 m -53.32 -31.38 43.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -129.73 5.67 5.08 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.268 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -61.19 -44.33 97.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 111.184 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.0 -33.74 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.507 0.67 . . . . 0.0 110.073 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.57 -45.55 68.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.354 -177.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.7 m -63.52 -41.32 92.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.467 ' HB ' HD13 ' A' ' 45' ' ' ILE . 7.1 p -70.93 -35.53 60.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.989 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.82 -43.69 65.16 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.245 178.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.69 -39.32 91.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.754 0.311 . . . . 0.0 110.304 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.54 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 63.5 t80 -57.44 -55.7 31.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.363 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.661 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 21.3 p -64.58 -38.57 91.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.707 -176.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -62.37 -57.84 9.84 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.079 0.466 . . . . 0.0 110.761 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.37 -36.95 83.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.164 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 1.2 tt -59.99 -51.48 69.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.197 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 61' ' ' THR . 10.3 mtmp? -58.55 -46.11 87.54 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.264 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.84 -23.7 61.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.843 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 m -81.89 -17.92 45.55 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.239 0.543 . . . . 0.0 110.752 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.3 t -85.1 -42.19 16.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 174.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 tt -66.14 -63.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.443 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -87.27 59.07 5.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.249 0.547 . . . . 0.0 109.745 176.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.408 ' CE1' HG22 ' B' ' 42' ' ' THR . 70.6 t60 -74.22 -61.61 1.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.029 -174.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.534 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -178.64 -154.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.222 178.003 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 72' ' ' HIS . 27.0 m80 75.34 97.11 0.07 Allowed 'General case' 0 N--CA 1.466 0.375 0 O-C-N 124.026 0.829 . . . . 0.0 109.792 -168.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -80.5 107.57 13.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.644 0.735 . . . . 0.0 109.096 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -81.47 -27.56 34.53 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 66.7 t60 . . . . . 0 C--O 1.244 0.812 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.56 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -73.89 91.11 0.92 Allowed 'Trans proline' 0 C--O 1.238 0.476 0 C-N-CA 122.798 2.332 . . . . 0.0 111.846 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 58.3 mt -114.66 97.88 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.081 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 41.7 t -110.7 142.94 21.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.934 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p 51.84 -140.97 0.84 Allowed 'General case' 0 CA--C 1.535 0.386 0 O-C-N 123.802 0.689 . . . . 0.0 111.412 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt 70.45 -70.08 0.16 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.441 0.696 . . . . 0.0 111.127 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 56.97 -155.3 0.32 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.583 0.552 . . . . 0.0 110.203 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.523 ' O ' HG23 ' B' ' 12' ' ' VAL . 13.7 t -127.27 118.17 23.7 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.76 -32.48 65.65 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.2 0.313 . . . . 0.0 110.758 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -55.45 -54.24 46.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.168 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.549 ' O ' HG13 ' B' ' 15' ' ' ILE . 63.8 ttt180 -66.42 -43.46 85.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.033 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.622 HG22 HD11 ' A' ' 32' ' ' LEU . 91.9 t -55.7 -57.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.524 -177.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.498 ' HA ' HD12 ' B' ' 16' ' ' ILE . 38.6 mt-10 -73.05 -19.77 61.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.057 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -73.61 -36.33 65.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.112 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.563 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 88.5 mt -61.14 -46.26 96.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 174.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' B' ' 13' ' ' GLU . 63.5 mt -56.85 -46.72 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.411 175.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -57.46 -45.68 84.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.392 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.423 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.2 t0 -65.77 -37.13 85.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 86.5 mt -65.48 -46.4 79.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.089 0.471 . . . . 0.0 110.315 175.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 93.7 mt -61.68 -39.18 90.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.707 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.7 -41.66 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.879 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 99.9 t -60.49 -45.69 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.244 176.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.67 -44.34 97.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 20' ' ' LEU . 98.3 t -68.13 -42.5 85.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.073 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -58.46 -45.29 88.89 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.041 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 62.9 mm-40 -76.73 -11.44 59.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.7 -175.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 60.08 37.04 21.24 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.364 0.415 . . . . 0.0 111.039 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m -70.9 150.56 9.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.998 0.427 . . . . 0.0 111.309 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.8 p -79.11 156.7 76.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.576 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.635 ' HB3' HG22 ' A' ' 48' ' ' VAL . 61.5 Cg_exo -52.01 -49.09 18.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.589 2.193 . . . . 0.0 112.601 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.35 -39.59 93.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.104 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -67.03 -46.79 73.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.543 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -57.15 -48.87 77.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.125 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.41 -37.65 86.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 55.2 ttp -62.42 -46.23 89.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 110.416 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -66.19 -43.85 85.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.453 ' O ' HG23 ' B' ' 41' ' ' VAL . 93.7 mt -60.91 -43.91 97.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.812 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.13 -41.72 94.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.464 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -63.62 -43.63 96.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.679 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.461 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -58.58 -49.45 77.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.873 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.0 t -59.62 -44.76 94.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.408 HG22 ' CE1' ' A' ' 71' ' ' HIS . 51.1 m -59.5 -34.45 72.61 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.508 -178.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -75.93 -32.31 59.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.668 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.461 HG12 ' O ' ' B' ' 40' ' ' ALA . 46.2 mm -67.53 -43.94 86.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.015 0.436 . . . . 0.0 110.636 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 62.7 mt -68.93 -18.82 23.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.269 0.557 . . . . 0.0 110.663 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.4 59.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.296 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -81.99 -28.65 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.311 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.534 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 26.8 m -85.95 161.13 50.89 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.734 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' B' ' 48' ' ' VAL . 13.4 Cg_endo -57.66 147.13 81.56 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.795 2.33 . . . . 0.0 111.991 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.513 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 36.5 mt-10 -64.28 -26.55 68.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.198 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -58.31 -32.19 68.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.051 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.47 ' O ' HG22 ' B' ' 56' ' ' VAL . 19.2 ptpt -108.12 -8.62 15.76 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 120.432 -0.507 . . . . 0.0 112.028 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.513 ' NH1' ' HG2' ' B' ' 50' ' ' GLU . 92.6 mtt180 -57.31 -46.99 82.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 117.934 0.334 . . . . 0.0 111.268 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 39.5 t -70.79 -34.48 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.104 0.478 . . . . 0.0 110.34 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -46.79 69.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.508 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 52' ' ' LYS . 26.9 m -69.64 -40.4 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.366 -177.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -67.6 -34.28 67.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.114 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.69 -47.35 63.54 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.185 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -62.31 -35.63 79.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.284 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -58.43 -50.74 72.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.395 174.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.661 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 46.5 p -69.18 -37.53 78.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.59 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.12 -45.1 96.07 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.154 0.502 . . . . 0.0 110.047 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.53 -50.08 75.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.747 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.3 -52.27 46.72 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.35 0.406 . . . . 0.0 111.554 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -53.71 -52.85 58.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.773 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.85 -17.78 55.06 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -175.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' B' ' 71' ' ' HIS . 64.0 m -83.3 -26.94 30.17 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.201 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.0 t -87.67 -53.02 10.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.607 0.242 . . . . 0.0 111.096 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.08 -14.28 61.81 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -173.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -118.87 19.5 13.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.396 0.617 . . . . 0.0 109.987 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' HIS . . . . . 0.611 ' HB2' ' O ' ' B' ' 67' ' ' SER . 15.4 t-80 -82.5 2.48 32.69 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.101 -176.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.38 77.29 3.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.237 0.542 . . . . 0.0 111.625 -177.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -102.12 -80.52 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.354 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 43.2 m80 57.82 24.86 11.28 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.636 0.585 . . . . 0.0 110.667 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -150.22 149.17 29.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.825 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.566 -0.73 . . . . 0.0 109.154 173.327 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.601 ' N ' ' HD2' ' A' ' 2' ' ' PRO . 51.2 ttm . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 1' ' ' MET . 13.8 Cg_endo -58.15 -174.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.986 1.791 . . . . 0.0 112.119 171.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.2 tt -48.97 112.26 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 121.591 0.71 . . . . 0.0 111.417 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.3 p -102.32 114.46 41.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.671 0.748 . . . . 0.0 111.48 -174.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 p -94.65 3.93 54.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.18 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? 65.66 14.84 9.75 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.776 -176.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 67.31 127.21 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.844 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 m -78.02 109.68 12.3 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 174.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -51.77 -43.64 63.07 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.222 0.326 . . . . 0.0 110.701 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -58.23 -43.22 87.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.941 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.5 ' O ' HG13 ' A' ' 15' ' ' ILE . 55.4 ttt180 -66.42 -45.53 79.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.58 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.447 HG22 HD11 ' B' ' 32' ' ' LEU . 47.8 t -59.59 -44.87 94.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.194 0.521 . . . . 0.0 110.013 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -56.9 -42.37 79.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.562 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -65.78 -49.3 68.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.252 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 79.5 mt -56.87 -44.13 81.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.745 -178.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.495 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.0 mt -60.78 -40.36 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.221 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -64.77 -46.36 82.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.549 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -57.55 -38.47 74.82 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.994 0.426 . . . . 0.0 110.682 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 96.6 mt -65.0 -44.27 89.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.42 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 97.1 mt -63.05 -37.28 86.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.616 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.77 -43.83 90.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.71 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.82 -41.74 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.669 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD22 HG21 ' A' ' 28' ' ' VAL . 89.8 mt -60.58 -45.83 92.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.836 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.07 -39.75 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.03 0.443 . . . . 0.0 110.313 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -55.08 -34.31 63.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.586 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' HG3' HG12 ' B' ' 15' ' ' ILE . 81.2 mm-40 -98.6 -9.9 24.15 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -177.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 55.3 46.94 22.52 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.411 0.624 . . . . 0.0 110.284 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.499 HG13 ' HB2' ' A' ' 26' ' ' GLU . 17.2 m -65.93 119.49 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.007 -175.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 32' ' ' LEU . 9.1 t -67.05 149.99 98.19 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 169.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -40.62 -44.3 4.5 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.131 2.554 . . . . 0.0 113.271 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -56.66 18.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.295 0.569 . . . . 0.0 110.295 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.547 ' H ' HG23 ' A' ' 29' ' ' THR . 60.5 tp -63.07 -42.99 99.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.704 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.05 -57.75 11.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.093 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.79 -33.22 75.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.201 -176.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.4 ttp -64.42 -49.08 72.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.661 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.2 m -67.5 -43.54 80.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.96 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD13 HG22 ' B' ' 41' ' ' VAL . 96.1 mt -61.09 -45.88 92.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.867 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.35 -45.92 93.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.759 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -68.54 -37.6 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.608 0.242 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -60.49 -49.89 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.563 177.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.598 HG11 ' CE2' ' A' ' 60' ' ' PHE . 78.8 t -61.69 -41.4 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.718 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.459 ' HA ' HG22 ' B' ' 68' ' ' VAL . 99.3 m -56.61 -44.77 81.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 178.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.547 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 59.1 t30 -65.94 -36.93 84.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.799 0.333 . . . . 0.0 110.567 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 40' ' ' ALA . 42.2 mm -63.42 -49.64 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.926 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.533 HG22 ' HG3' ' A' ' 53' ' ' ARG . 55.0 mt -73.33 -21.61 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.095 0.474 . . . . 0.0 110.934 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.56 -18.46 62.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.992 0.425 . . . . 0.0 110.859 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 69.1 mt-30 -83.36 -8.6 59.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.454 0.645 . . . . 0.0 109.902 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -91.85 127.53 49.54 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.55 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -51.67 136.75 50.28 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.878 2.385 . . . . 0.0 112.219 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.26 -21.92 37.77 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -175.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -59.9 -34.64 73.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.813 0.339 . . . . 0.0 111.148 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -125.47 15.96 8.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.103 0.478 . . . . 0.0 110.808 -177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.533 ' HG3' HG22 ' A' ' 45' ' ' ILE . 42.2 ttm180 -80.12 -36.57 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.909 -177.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.85 -39.48 84.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.26 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -49.76 76.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.444 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.5 m -71.19 -41.24 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.532 HG22 ' HG2' ' B' ' 65' ' ' LYS . 10.8 p -68.85 -32.93 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.255 -178.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -75.47 -36.31 60.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 110.495 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -72.12 -35.73 69.21 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.768 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.598 ' CE2' HG11 ' A' ' 41' ' ' VAL . 73.3 t80 -58.62 -54.62 45.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.401 0.62 . . . . 0.0 110.153 175.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.585 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 16.7 p -68.08 -37.43 81.22 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.429 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -56.3 -47.72 78.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.714 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.37 -36.67 79.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.315 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 68' ' ' VAL . 9.6 mt -55.78 -59.76 4.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.382 177.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.499 ' HG2' HG22 ' B' ' 57' ' ' VAL . 58.7 mtmt -60.96 -35.26 76.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.002 -176.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.6 -48.63 76.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.099 0.476 . . . . 0.0 110.746 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -74.22 -9.94 59.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.519 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 64' ' ' LEU . 78.1 t -91.3 -46.86 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.343 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 89.5 mt -62.95 -38.76 92.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.054 0.454 . . . . 0.0 110.5 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -114.06 48.82 1.05 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.42 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.473 ' HE1' HG23 ' B' ' 42' ' ' THR . 19.2 t60 -76.38 79.65 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.423 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -62.55 107.4 0.93 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.886 174.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -91.33 -24.72 19.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.556 -173.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -116.75 142.41 46.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.894 0.378 . . . . 0.0 111.414 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -163.78 -174.56 3.71 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 175.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.377 -0.821 . . . . 0.0 109.66 177.776 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.801 ' HB3' ' HD3' ' B' ' 2' ' ' PRO . 48.0 ttm . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 119.614 -0.232 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.801 ' HD3' ' HB3' ' B' ' 1' ' ' MET . 20.1 Cg_exo -66.14 145.79 79.79 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.932 1.755 . . . . 0.0 111.786 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.0 pt -97.16 -15.77 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.58 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -80.25 -36.65 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.191 0.52 . . . . 0.0 110.055 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 10.3 m -86.08 87.32 7.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.667 176.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.35 93.0 9.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.846 0.832 . . . . 0.0 111.157 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -82.04 127.65 33.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.161 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.492 ' O ' HG23 ' B' ' 12' ' ' VAL . 35.3 t -110.08 176.65 4.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.514 -178.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -56.68 -29.17 62.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.6 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -48.66 -52.8 21.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.616 174.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.581 ' O ' HG13 ' B' ' 15' ' ' ILE . 56.0 ttt180 -82.76 -33.44 27.41 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.834 -175.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 8' ' ' SER . 91.3 t -56.52 -53.61 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.59 0.233 . . . . 0.0 110.464 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -67.43 -35.67 79.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.548 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' B' ' 11' ' ' ARG . 32.5 ttmt -54.03 -48.95 69.97 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.142 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.581 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.0 mt -66.97 -41.15 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.985 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 12' ' ' VAL . 83.1 mt -58.42 -47.6 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.697 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -67.73 -36.17 80.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.764 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.9 -49.65 76.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.338 0.59 . . . . 0.0 109.765 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.19 -47.25 87.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.902 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 78.4 mt -62.21 -39.96 94.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -60.37 -43.61 96.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.53 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 91.1 t -57.41 -47.48 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.99 0.424 . . . . 0.0 110.472 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.34 -48.92 75.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.238 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 20' ' ' LEU . 97.5 t -66.18 -35.65 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.027 -178.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -59.5 -38.59 81.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.441 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -83.47 -11.83 57.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.392 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 59.2 41.55 20.05 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.493 0.496 . . . . 0.0 110.904 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.35 139.0 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.039 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.625 HG23 ' H ' ' B' ' 32' ' ' LEU . 5.8 t -70.99 147.3 93.81 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.379 175.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.531 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 98.3 Cg_exo -43.86 -41.86 11.99 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.195 2.597 . . . . 0.0 113.274 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -64.33 -47.0 81.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.03 0.443 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.625 ' H ' HG23 ' B' ' 29' ' ' THR . 62.4 tp -62.14 -40.85 97.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.369 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.61 76.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.666 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 84.5 mt -60.99 -40.62 94.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.976 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.4 ttp -63.64 -42.17 98.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.887 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.8 m -71.23 -48.74 49.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.657 0.265 . . . . 0.0 110.785 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.477 HD13 HG22 ' A' ' 41' ' ' VAL . 96.8 mt -62.54 -38.51 90.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.057 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.14 -44.59 96.26 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.426 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.521 ' HA ' HG22 ' B' ' 42' ' ' THR . 30.9 m-80 -68.31 -32.09 71.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.803 0.335 . . . . 0.0 110.958 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.501 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -66.18 -49.02 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.502 HG22 HD13 ' A' ' 37' ' ' LEU . 71.1 t -65.53 -44.26 94.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.09 -178.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.521 HG22 ' HA ' ' B' ' 39' ' ' ASN . 14.7 t -65.25 -25.01 67.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.281 -175.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -84.11 -21.36 31.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.316 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.501 HG12 ' O ' ' B' ' 40' ' ' ALA . 49.1 mm -77.64 -42.3 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.703 175.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.551 HG22 ' HG3' ' B' ' 53' ' ' ARG . 54.4 mt -69.58 -20.12 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.435 0.636 . . . . 0.0 110.209 178.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.43 -4.05 49.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.219 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -90.88 -29.78 17.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.472 HG22 ' O ' ' B' ' 45' ' ' ILE . 32.5 m -80.11 152.81 74.34 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.38 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -57.67 148.42 74.06 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.996 2.464 . . . . 0.0 112.446 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.41 -9.64 43.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 111.358 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.6 t -74.04 -18.13 60.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.558 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.47 ' O ' HG23 ' B' ' 56' ' ' VAL . 28.6 mtpp -125.43 -15.5 6.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.706 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.551 ' HG3' HG22 ' B' ' 45' ' ' ILE . 39.4 ttm180 -57.72 -45.96 85.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.323 -171.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.9 t -71.52 -38.34 67.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.089 0.471 . . . . 0.0 110.156 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.46 88.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.753 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 52' ' ' LYS . 69.9 t -63.35 -47.41 92.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.544 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.499 HG22 ' HG2' ' A' ' 65' ' ' LYS . 8.6 p -68.15 -38.74 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.412 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.49 -46.61 79.05 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 109.973 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.11 -38.81 92.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.031 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.444 ' CE2' HG11 ' B' ' 41' ' ' VAL . 73.7 t80 -59.95 -56.32 23.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.057 176.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.585 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 19.2 p -63.98 -41.17 97.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.972 -177.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' B' ' 62' ' ' LYS . 32.6 ttmt -56.73 -55.99 27.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.781 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.32 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.511 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.25 -45.43 93.33 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.34 0.4 . . . . 0.0 110.662 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.532 ' HG2' HG22 ' A' ' 57' ' ' VAL . 7.8 mtmp? -63.22 -36.79 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.196 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -64.62 -45.07 88.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.384 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' B' ' 71' ' ' HIS . 11.8 p -71.9 -28.94 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.284 -178.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 42' ' ' THR . 55.3 t -75.47 -40.44 41.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 177.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 69.3 mt -62.7 -50.75 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.718 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -126.0 90.17 3.15 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.641 0.734 . . . . 0.0 111.381 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' HIS . . . . . 0.533 ' HB2' ' O ' ' B' ' 67' ' ' SER . 18.4 t60 -116.15 36.56 4.01 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 169.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 68.37 74.02 0.28 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 113.961 -1.472 . . . . 0.0 108.239 -164.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -54.8 152.43 7.23 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.99 -176.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -85.86 81.11 8.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.287 0.565 . . . . 0.0 111.245 -167.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -107.34 5.45 27.46 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 172.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 . . . . . 0 C--O 1.244 0.771 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.429 177.222 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.71 107.36 0.87 Allowed 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.438 2.092 . . . . 0.0 111.467 176.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 pt -80.22 153.62 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.487 HG12 ' H ' ' A' ' 7' ' ' TYR . 15.0 t -88.5 142.46 12.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 p -69.53 -55.52 9.94 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -175.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -104.54 -16.91 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.167 -0.213 . . . . 0.0 111.176 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.487 ' H ' HG12 ' A' ' 4' ' ' VAL . 85.3 m-85 62.24 -160.37 0.31 Allowed 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.571 0.544 . . . . 0.0 110.628 -175.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 p -105.51 123.85 48.58 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.776 176.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -46.41 80.57 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.321 0.582 . . . . 0.0 110.022 -176.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 1.5 mp0 -53.35 -42.98 67.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.926 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.581 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.5 ttt180 -74.96 -41.88 58.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.995 -177.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 16' ' ' ILE . 93.6 t -55.85 -46.28 80.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 120.714 0.292 . . . . 0.0 110.673 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.35 -25.95 60.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -68.5 -38.99 81.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.015 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 11' ' ' ARG . 74.4 mt -62.91 -46.22 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.913 176.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.456 HG23 ' HB2' ' B' ' 40' ' ' ALA . 69.5 mt -58.13 -42.03 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.209 176.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -61.35 -46.98 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.674 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.29 -41.13 75.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.602 0.239 . . . . 0.0 111.167 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD13 HD23 ' B' ' 37' ' ' LEU . 78.7 mt -62.64 -46.38 88.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 110.455 177.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' O ' HG23 ' A' ' 24' ' ' VAL . 96.9 mt -60.87 -40.06 91.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.753 178.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.11 -43.59 82.45 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.096 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.6 t -61.71 -44.93 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.074 0.464 . . . . 0.0 110.76 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.06 -44.37 92.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.906 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 20' ' ' LEU . 98.7 t -69.78 -31.55 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.931 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -64.23 -36.18 83.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.837 0.351 . . . . 0.0 110.6 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' HB2' HG13 ' A' ' 28' ' ' VAL . 56.6 mm-40 -84.36 -16.55 42.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.791 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 57.77 53.98 6.62 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.182 0.515 . . . . 0.0 109.696 -173.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.515 HG13 ' HB2' ' A' ' 26' ' ' GLU . 35.2 m -76.29 145.03 11.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.606 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.533 HG23 ' H ' ' A' ' 32' ' ' LEU . 1.2 t -75.63 145.85 79.37 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 171.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -45.98 -39.67 19.88 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.025 2.483 . . . . 0.0 112.9 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.68 -50.09 73.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.022 0.439 . . . . 0.0 110.561 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.657 HD11 HG22 ' B' ' 12' ' ' VAL . 63.2 tp -63.87 -42.56 97.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.516 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.79 -52.55 64.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.075 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.17 -40.19 95.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.044 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.64 -38.63 91.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.769 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.6 m -73.2 -45.84 53.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.414 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD13 HG22 ' B' ' 41' ' ' VAL . 94.9 mt -60.73 -42.68 97.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.187 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.81 -42.97 92.25 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.345 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -68.68 -38.18 80.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.648 0.261 . . . . 0.0 110.611 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -63.7 -46.93 83.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.75 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 37' ' ' LEU . 99.6 t -59.07 -49.47 83.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.355 178.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.6 m -58.86 -36.78 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.221 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -68.63 -36.21 78.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 110.574 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 40' ' ' ALA . 46.3 mm -72.18 -43.99 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.543 HG22 ' HG3' ' A' ' 53' ' ' ARG . 60.5 mt -64.58 -28.99 46.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.727 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -19.85 65.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.306 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -87.95 -11.82 46.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.419 . . . . 0.0 110.098 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.447 HG22 ' CB ' ' B' ' 30' ' ' PRO . 40.8 t -82.05 136.34 47.21 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.965 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -45.64 129.48 11.55 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.727 2.285 . . . . 0.0 111.527 173.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.544 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 26.2 tt0 -60.72 -29.4 69.33 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -169.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -63.38 -30.24 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.651 0.262 . . . . 0.0 111.535 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -112.68 8.81 19.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.146 0.498 . . . . 0.0 110.121 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.544 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 41.6 ttm180 -74.56 -42.25 59.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.994 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.46 -31.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.927 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.86 -52.57 35.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.273 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.4 m -64.27 -37.01 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.101 -175.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 p -72.73 -34.68 47.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.038 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -43.51 73.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.097 0.475 . . . . 0.0 110.232 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -64.88 -38.46 91.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.223 175.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -58.29 -52.3 66.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.438 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 24.8 p -65.33 -37.77 88.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.786 -177.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 62.0 tttm -64.88 -51.51 61.57 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 120.932 0.396 . . . . 0.0 110.615 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.12 83.23 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.934 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -55.23 -58.71 6.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.378 177.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 61' ' ' THR . 46.6 mtpt -58.86 -48.31 81.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.911 -172.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 4.4 pt20 -71.5 -29.38 64.73 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.043 -176.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 m -82.83 -16.55 47.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.136 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.8 t -91.1 -42.53 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.968 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.79 -37.24 85.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.16 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -95.06 16.03 17.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.205 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -85.21 70.98 10.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.224 0.535 . . . . 0.0 111.267 -175.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -128.05 -82.3 0.59 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.105 170.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -149.94 153.23 36.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.495 174.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -142.93 89.55 2.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.907 174.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -78.34 101.99 7.48 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 175.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.238 -170.784 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -56.88 -32.13 91.26 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.004 2.469 . . . . 0.0 113.275 -176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 50.0 mt -75.42 85.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.264 0.554 . . . . 0.0 110.317 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.0 p -133.68 2.45 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.405 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -75.74 82.18 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.455 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -94.2 80.5 4.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.925 0.393 . . . . 0.0 110.716 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 64.13 -175.07 0.16 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.047 174.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.417 ' O ' HG23 ' B' ' 12' ' ' VAL . 11.7 p -109.76 121.02 44.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.13 177.144 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -64.46 -24.26 67.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.623 -177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 1.6 mp0 -55.5 -54.97 37.31 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.155 0.502 . . . . 0.0 109.732 174.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.522 ' O ' HG13 ' B' ' 15' ' ' ILE . 24.7 ttm180 -68.59 -48.42 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.152 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.657 HG22 HD11 ' A' ' 32' ' ' LEU . 87.7 t -53.7 -50.97 47.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 120.72 0.295 . . . . 0.0 111.537 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.81 -34.02 75.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.42 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -63.95 -46.85 82.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.935 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 11' ' ' ARG . 84.0 mt -55.0 -50.73 60.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.44 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.575 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 66.5 mt -58.76 -44.36 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.6 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -64.25 -45.22 89.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.264 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.433 ' O ' HG23 ' B' ' 22' ' ' VAL . 2.6 m-20 -61.86 -42.03 98.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.927 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 96.0 mt -60.74 -45.1 95.61 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.584 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 91.6 mt -60.13 -43.08 95.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.93 -35.03 79.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.842 0.353 . . . . 0.0 110.603 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' B' ' 25' ' ' LYS . 59.1 t -59.15 -40.39 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.471 175.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -71.81 -37.93 70.3 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.404 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 20' ' ' LEU . 98.8 t -67.2 -40.34 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.431 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 21.1 pttp -65.59 -24.45 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.306 . . . . 0.0 111.005 -177.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.647 ' HB2' HG13 ' B' ' 28' ' ' VAL . 74.6 mm-40 -91.36 -12.58 34.5 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.717 0.294 . . . . 0.0 110.569 177.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 56.34 42.23 28.02 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.535 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' B' ' 26' ' ' GLU . 32.9 m -67.34 150.09 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.401 -178.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.76 152.43 72.18 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 171.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.514 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 83.8 Cg_exo -48.69 -48.09 18.76 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.594 2.196 . . . . 0.0 112.489 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.94 -42.55 99.24 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.07 -44.32 92.76 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.671 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.85 91.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.994 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 84.8 mt -62.05 -40.54 96.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.476 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 49.5 ttp -62.58 -40.08 95.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.748 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 72.0 m -71.64 -47.34 55.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.009 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.566 ' O ' HG23 ' B' ' 41' ' ' VAL . 89.0 mt -60.8 -52.88 63.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.37 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.64 -34.49 89.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.584 -176.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' B' ' 35' ' ' MET . 10.1 t-20 -67.39 -36.69 81.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.221 0.534 . . . . 0.0 109.846 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.456 ' HB2' HG23 ' A' ' 16' ' ' ILE . . . -71.1 -43.88 66.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.636 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.0 t -57.49 -38.75 65.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 178.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.8 m -59.31 -34.55 72.45 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.973 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -76.99 -38.95 52.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.354 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.441 HG12 ' O ' ' B' ' 40' ' ' ALA . 50.2 mm -64.25 -45.56 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.198 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.542 HG22 ' HG3' ' B' ' 53' ' ' ARG . 65.4 mt -66.11 -24.87 34.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 121.287 0.565 . . . . 0.0 110.634 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.37 -19.3 61.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -86.39 -4.2 59.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.275 0.56 . . . . 0.0 110.098 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.432 HG12 ' HG3' ' B' ' 52' ' ' LYS . 52.6 t -94.33 133.38 27.26 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.294 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -51.71 138.81 49.71 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.835 2.356 . . . . 0.0 111.947 176.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.59 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 19.8 mt-10 -62.15 -27.23 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -171.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 45.3 t -57.08 -35.49 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.389 . . . . 0.0 110.87 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.432 ' HG3' HG12 ' B' ' 48' ' ' VAL . 0.7 OUTLIER -112.04 -8.69 14.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.104 179.508 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.59 ' HB3' ' HA ' ' B' ' 50' ' ' GLU . 41.9 ttm180 -62.68 -49.56 74.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 111.158 -177.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.09 -34.18 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.936 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.38 -49.72 58.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.062 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.55 -33.65 63.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -72.14 -41.02 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.893 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -38.69 89.61 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.918 0.39 . . . . 0.0 110.485 176.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -68.33 -39.99 81.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.707 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -60.2 -49.98 75.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.425 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 34.4 p -67.49 -34.18 76.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.086 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -68.86 -44.59 73.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.335 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.04 97.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.439 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 47.7 mt -58.11 -58.22 9.4 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 176.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -54.53 -48.61 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.726 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -65.79 -29.11 69.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 111.581 -176.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' B' ' 71' ' ' HIS . 20.2 m -93.08 -19.96 21.0 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 54.3 t -94.01 -39.26 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.14 -25.15 66.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.023 0.44 . . . . 0.0 110.371 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.428 ' HB3' ' H ' ' B' ' 71' ' ' HIS . 0.7 OUTLIER -98.78 -115.66 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.414 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 71' ' ' HIS . . . . . 0.428 ' H ' ' HB3' ' B' ' 70' ' ' GLU . 0.3 OUTLIER 64.31 168.23 0.17 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.132 0.573 . . . . 0.0 111.843 175.661 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 26.9 p80 54.64 115.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.668 1.187 . . . . 0.0 113.028 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -131.04 141.74 50.24 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.802 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.67 131.69 54.83 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 176.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -62.92 -28.55 70.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.245 0.545 . . . . 0.0 110.06 -174.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 . . . . . 0 C--O 1.247 0.942 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.123 170.567 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.408 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 68.3 mtm . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 1' ' ' MET . 30.1 Cg_endo -63.79 118.54 5.47 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.97 2.447 . . . . 0.0 112.755 -177.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mm -126.6 96.24 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.2 m -129.38 161.88 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.034 -177.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m 59.64 78.84 0.25 Allowed 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.968 176.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -82.76 -27.44 31.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.463 0.649 . . . . 0.0 110.317 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -95.22 151.85 18.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.852 -177.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.6 t -100.8 158.74 15.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.953 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -61.04 -45.02 96.47 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 -176.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -60.93 -33.63 73.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.441 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 15' ' ' ILE . 30.5 ttt85 -67.36 -43.96 80.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.792 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 16' ' ' ILE . 48.5 t -55.84 -50.34 69.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.338 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -57.45 -45.59 84.58 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.165 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.09 -49.03 79.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.177 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.533 HD13 HG12 ' B' ' 28' ' ' VAL . 63.6 mt -59.51 -44.33 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.815 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 12' ' ' VAL . 78.0 mt -59.5 -47.24 91.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.545 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -64.31 -39.35 93.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.983 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.7 t70 -68.67 -34.76 76.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.436 -178.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.475 HD13 HD23 ' B' ' 37' ' ' LEU . 99.0 mt -66.52 -47.9 71.46 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.166 0.508 . . . . 0.0 110.163 174.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.89 -28.44 69.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.439 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.556 ' HA ' HG12 ' A' ' 24' ' ' VAL . 13.4 t70 -68.69 -37.83 79.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.375 177.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 18' ' ' ASP . 66.6 t -60.53 -37.85 76.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.44 0.638 . . . . 0.0 109.602 175.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.97 -34.34 73.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.232 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.556 HG12 ' HA ' ' A' ' 21' ' ' ASP . 3.6 p -82.53 -21.06 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 110.344 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 55.1 mttp -57.86 -39.96 79.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.203 0.525 . . . . 0.0 109.918 171.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.543 ' HB2' HG13 ' A' ' 28' ' ' VAL . 17.7 mm-40 -96.46 -25.64 15.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.834 -176.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 59.28 59.65 2.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.569 0.699 . . . . 0.0 109.681 -170.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.543 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.0 m -79.1 153.97 4.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.585 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 p -79.09 157.79 75.47 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.706 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.46 -42.19 56.41 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.471 2.114 . . . . 0.0 111.928 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.2 -51.54 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.965 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.442 HD11 HG22 ' B' ' 12' ' ' VAL . 52.3 tp -65.98 -41.88 90.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.675 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.04 -54.78 43.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.32 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.66 -35.6 78.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.319 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.1 ttp -66.52 -43.64 84.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.1 m -71.97 -42.55 66.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.883 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 41' ' ' VAL . 93.1 mt -61.08 -44.29 97.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.034 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.01 -43.8 93.07 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.607 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -62.41 -38.92 91.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 111.19 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.3 -38.49 90.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.616 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 37' ' ' LEU . 57.9 t -67.18 -49.5 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.809 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.8 m -61.32 -33.17 73.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.041 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -63.03 -30.02 71.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.04 0.448 . . . . 0.0 110.836 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -82.32 -42.68 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.308 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.53 HD13 ' HB ' ' A' ' 57' ' ' VAL . 68.1 mt -64.52 -32.78 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.302 -178.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.73 -10.85 51.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.842 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -91.19 -5.71 54.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.42 . . . . 0.0 110.7 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.469 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 17.0 t -90.36 139.99 26.94 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.677 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.67 148.18 90.2 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.122 1.881 . . . . 0.0 112.255 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.42 ' CD ' HH21 ' A' ' 53' ' ' ARG . 4.0 tp10 -59.68 -19.13 47.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.856 -170.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -63.34 -32.43 73.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.81 7.84 3.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.441 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.469 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 37.4 ttp180 -66.81 -37.95 85.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.998 0.428 . . . . 0.0 110.706 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -73.24 -31.31 33.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.201 0.524 . . . . 0.0 110.024 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.28 -44.3 72.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.553 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.41 -37.96 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.53 ' HB ' HD13 ' A' ' 45' ' ' ILE . 7.4 p -73.92 -29.22 25.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.883 0.373 . . . . 0.0 110.445 177.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.34 -52.08 37.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -60.6 -37.72 82.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.504 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.409 ' HE1' ' O ' ' B' ' 34' ' ' LEU . 64.8 t80 -57.46 -60.1 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.316 176.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.508 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 24.0 p -66.16 -36.79 84.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.39 -176.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 16.2 tptm -60.45 -56.05 26.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.964 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -30.39 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.573 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 5.1 tt -62.43 -47.23 84.99 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.596 ' HG2' HG22 ' B' ' 57' ' ' VAL . 53.5 mtmt -66.9 -33.89 76.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.043 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 62' ' ' LYS . 27.1 mt-30 -62.9 -29.16 70.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 110.447 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -87.69 -20.7 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.248 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 64' ' ' LEU . 73.7 t -93.69 -41.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.745 -178.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.94 -35.73 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -94.26 -94.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 60.38 -74.74 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.854 0.862 . . . . 0.0 112.657 175.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -58.69 116.37 3.67 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 123.379 0.672 . . . . 0.0 110.459 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -91.88 -70.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -158.88 148.22 18.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.458 0.647 . . . . 0.0 112.619 -175.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.469 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 12.5 p80 -92.5 161.45 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 164.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' A' ' 75' ' ' HIS . 58.4 t60 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.981 -0.533 . . . . 0.0 110.329 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.13 124.93 12.79 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.315 2.01 . . . . 0.0 111.78 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.41 HG13 HG23 ' B' ' 4' ' ' VAL . 36.1 pt -67.3 168.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.829 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.434 ' O ' HG12 ' B' ' 4' ' ' VAL . 22.0 t 69.06 4.18 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.7 0.762 . . . . 0.0 110.598 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -110.82 116.76 31.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.817 175.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -79.48 81.71 5.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.0 0.428 . . . . 0.0 110.784 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 61.44 -168.01 0.19 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.459 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 5.4 p -110.88 124.71 52.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.446 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -57.88 -38.43 75.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.753 0.311 . . . . 0.0 110.815 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' B' ' 10' ' ' GLU . 2.5 mp0 -57.87 -41.15 81.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.91 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.545 ' O ' HG13 ' B' ' 15' ' ' ILE . 51.2 ttt180 -74.35 -45.17 48.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.691 -176.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.442 HG22 HD11 ' A' ' 32' ' ' LEU . 59.0 t -57.95 -42.84 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.164 177.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.81 -51.09 70.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.866 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -59.25 -44.4 92.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.287 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 11' ' ' ARG . 71.7 mt -59.43 -46.85 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.694 0.283 . . . . 0.0 110.789 -177.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.3 -44.55 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.571 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.85 -47.85 81.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.766 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -43.04 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.316 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 96.0 mt -60.71 -43.36 97.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.562 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.4 -35.82 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.671 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -63.9 -45.27 90.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.662 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.86 -39.53 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.32 . . . . 0.0 110.81 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 19' ' ' LEU . 94.5 mt -59.49 -50.18 74.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.274 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -75.65 -24.99 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 110.46 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -66.87 -36.73 82.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.619 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.509 ' HG3' HG12 ' A' ' 15' ' ' ILE . 80.7 mm-40 -86.49 -6.06 59.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.557 174.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 59.88 41.31 18.06 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.533 HG12 HD13 ' A' ' 15' ' ' ILE . 30.5 m -64.76 147.93 12.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.497 ' OG1' ' HD2' ' B' ' 30' ' ' PRO . 12.7 t -99.03 152.96 37.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 172.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.497 ' HD2' ' OG1' ' B' ' 29' ' ' THR . 53.5 Cg_exo -34.07 -51.96 0.58 Allowed 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.795 2.997 . . . . 0.0 114.404 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.13 -56.86 15.98 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.128 0.489 . . . . 0.0 110.423 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -57.93 -40.61 80.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.159 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.21 -54.17 49.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.77 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.409 ' O ' ' HE1' ' A' ' 60' ' ' PHE . 90.6 mt -62.61 -41.66 99.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.861 -178.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.527 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 36.8 ttp -60.29 -46.65 89.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.982 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 90.4 m -69.93 -45.25 67.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.224 -0.191 . . . . 0.0 111.443 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.555 ' O ' HG23 ' B' ' 41' ' ' VAL . 80.5 mt -60.48 -52.88 63.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.591 0.234 . . . . 0.0 111.192 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.57 -33.01 86.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.374 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' B' ' 35' ' ' MET . 14.6 t-20 -67.54 -39.25 85.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.013 0.435 . . . . 0.0 109.941 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.49 -43.02 86.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.328 176.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.555 HG23 ' O ' ' B' ' 37' ' ' LEU . 90.2 t -57.15 -47.37 84.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.325 176.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 60.5 m -57.3 -39.73 76.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.05 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 0.2 OUTLIER -67.21 -39.39 86.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.067 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -65.84 -48.79 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.876 0.369 . . . . 0.0 110.734 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.551 HG22 ' HG3' ' B' ' 53' ' ' ARG . 59.5 mt -65.34 -26.32 39.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.038 0.447 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.61 -11.34 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.341 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.3 mt-30 -93.21 -10.63 35.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.233 0.54 . . . . 0.0 110.067 177.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.2 t -86.73 136.65 34.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.726 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -47.38 133.71 20.19 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.914 2.409 . . . . 0.0 112.303 176.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -53.63 -32.72 52.49 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.6 t -49.58 -53.15 25.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 111.207 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -102.14 2.39 37.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.293 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.551 ' HG3' HG22 ' B' ' 45' ' ' ILE . 42.4 ttm180 -64.05 -43.07 96.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.957 0.408 . . . . 0.0 110.512 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.8 t -70.31 -29.75 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.36 0.6 . . . . 0.0 110.272 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.3 -49.26 44.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.094 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.8 m -66.78 -34.81 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.643 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.596 HG22 ' HG2' ' A' ' 65' ' ' LYS . 13.5 p -72.55 -31.86 39.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.696 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.27 -44.01 69.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -62.76 -41.63 99.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.86 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.462 ' CE2' HG11 ' B' ' 41' ' ' VAL . 78.2 t80 -57.81 -52.93 63.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.489 0.662 . . . . 0.0 110.638 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.521 HG21 ' HG3' ' A' ' 65' ' ' LYS . 17.9 p -68.17 -35.14 77.56 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.337 -176.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.02 -45.38 81.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.189 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.03 98.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.461 ' O ' HG23 ' B' ' 68' ' ' VAL . 21.8 mt -54.21 -58.9 5.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -62.53 -29.51 70.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.758 -178.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -67.02 -48.46 68.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.745 175.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 69.3 p -66.38 -32.3 73.6 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 111.267 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 64' ' ' LEU . 96.2 t -63.87 -44.03 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.401 . . . . 0.0 110.105 175.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.0 -45.18 61.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.037 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -113.26 90.69 3.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.309 0.576 . . . . 0.0 112.153 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 54.8 p-80 -145.46 -34.82 0.32 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.533 169.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 52.29 -154.88 0.18 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.858 0.723 . . . . 0.0 110.387 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -122.96 95.65 4.7 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 168.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.54 ' O ' ' HB2' ' B' ' 75' ' ' HIS . 7.8 p80 -80.05 56.33 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.111 -171.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.54 ' HB2' ' O ' ' B' ' 74' ' ' HIS . 20.1 t-80 169.12 97.05 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.842 171.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.932 -0.556 . . . . 0.0 110.527 -178.267 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.47 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.6 mpt? . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 6.4 Cg_exo -74.4 58.2 4.39 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.317 2.678 . . . . 0.0 112.134 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.4 mt -126.53 139.91 50.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.696 HG12 ' HD2' ' A' ' 7' ' ' TYR . 6.3 t -85.53 61.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.014 0.435 . . . . 0.0 110.49 -176.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 m 50.65 -92.21 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.243 -0.89 . . . . 0.0 113.015 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -129.22 7.63 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.613 0.244 . . . . 0.0 111.183 -173.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.696 ' HD2' HG12 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -122.61 142.33 50.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.825 0.345 . . . . 0.0 110.702 -173.324 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.6 p -83.99 150.71 25.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.217 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -59.87 -38.92 83.57 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -48.64 -49.0 39.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.871 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.566 ' O ' HG13 ' A' ' 15' ' ' ILE . 63.9 ttt180 -73.99 -41.3 62.13 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.789 -176.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 8' ' ' SER . 97.3 t -57.01 -50.34 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.905 0.383 . . . . 0.0 110.538 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.41 -38.94 93.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.926 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -63.94 -41.38 97.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 11' ' ' ARG . 88.0 mt -60.58 -42.04 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.25 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.533 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 70.9 mt -61.67 -41.67 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.04 176.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -62.52 -46.84 86.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.464 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.448 ' HB3' HG11 ' B' ' 22' ' ' VAL . 0.9 OUTLIER -53.17 -44.75 68.1 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.747 176.231 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 83.6 mt -64.27 -43.77 93.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.81 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 91.4 mt -60.23 -42.73 95.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.928 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -61.29 -38.85 88.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.224 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.8 t -60.99 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.199 0.523 . . . . 0.0 110.655 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.5 HD13 HD11 ' B' ' 44' ' ' ILE . 85.4 mt -67.8 -46.44 71.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.371 -176.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.36 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.556 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 33.3 ttpt -53.44 -41.19 65.84 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.405 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' HB2' HG13 ' A' ' 28' ' ' VAL . 9.6 mm-40 -91.7 -0.14 57.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.426 -176.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 52.31 44.78 29.47 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.613 -175.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.447 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.5 m -65.93 136.9 25.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.37 0.605 . . . . 0.0 111.904 -175.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.13 154.87 63.88 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.362 173.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.45 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 96.3 Cg_exo -45.67 -48.19 12.5 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.061 2.507 . . . . 0.0 113.375 -177.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.2 -49.33 78.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.036 0.446 . . . . 0.0 110.66 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -65.18 -42.35 93.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.801 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.45 73.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.286 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.3 mt -62.79 -42.26 99.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -178.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 53.5 ttp -60.28 -41.74 93.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.862 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.9 m -72.99 -49.13 30.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.5 mt -59.56 -52.25 66.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.69 -34.69 90.38 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.659 -177.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 35' ' ' MET . 5.5 t-20 -65.59 -43.83 88.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 109.87 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -64.24 -41.91 96.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.795 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 37' ' ' LEU . 83.9 t -58.61 -42.03 83.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 177.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.9 m -60.53 -36.3 78.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.195 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -72.91 -30.12 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.064 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 40' ' ' ALA . 48.3 mm -69.73 -47.42 70.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.836 0.35 . . . . 0.0 110.076 177.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -70.39 -15.91 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.309 0.576 . . . . 0.0 110.543 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.615 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -71.82 -14.32 61.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.928 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -93.22 6.28 48.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.341 0.591 . . . . 0.0 110.276 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG12 ' HG3' ' A' ' 52' ' ' LYS . 45.3 t -111.19 118.21 48.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.81 -179.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.99 135.8 44.07 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.907 2.405 . . . . 0.0 112.475 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.582 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 2.2 mp0 -41.45 -39.55 1.53 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.7 t -46.4 -43.45 16.31 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.5 0.5 . . . . 0.0 111.466 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.561 ' HG3' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -112.74 -5.4 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.941 179.313 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.615 ' NH1' ' HA ' ' A' ' 46' ' ' ALA . 18.8 ttm-85 -63.93 -48.63 75.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.558 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.56 -32.52 58.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.229 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -45.65 69.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.088 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.93 -37.49 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -177.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.596 HG22 ' HG2' ' B' ' 65' ' ' LYS . 12.5 p -70.88 -35.15 58.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.238 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.493 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 36.4 t70 -67.71 -48.69 65.82 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -59.89 -35.07 74.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.644 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -59.08 -54.79 43.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.2 0.524 . . . . 0.0 110.196 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.573 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 36.4 p -68.48 -36.5 79.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.629 -176.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -66.11 -39.51 90.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.971 0.415 . . . . 0.0 110.299 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 66' ' ' GLN . . . -64.78 -43.06 94.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.353 175.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.73 -47.28 82.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.292 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -57.91 -48.2 80.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.529 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 63' ' ' ALA . 5.1 pp0? -72.41 -17.92 61.76 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.064 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.568 ' HB3' HG21 ' B' ' 42' ' ' THR . 57.7 m -82.11 -42.31 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.677 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.5 t -73.42 -31.27 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.169 0.509 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -77.0 8.72 3.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.237 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -133.05 156.92 46.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.279 178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -151.54 113.42 4.46 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.111 0.481 . . . . 0.0 109.862 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -160.68 139.12 10.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.006 -173.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.98 -84.87 0.66 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 171.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -152.61 11.37 0.51 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 174.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 57.64 83.48 0.11 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.526 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.682 -0.675 . . . . 0.0 109.545 175.95 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.573 ' H2 ' ' HD2' ' B' ' 2' ' ' PRO . 1.5 mpt? . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.573 ' HD2' ' H2 ' ' B' ' 1' ' ' MET . 18.2 Cg_endo -60.22 -39.5 67.88 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.125 1.883 . . . . 0.0 112.703 -176.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.6 mm -102.31 104.07 15.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.391 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 48.2 t -99.55 130.4 48.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 36.2 t -104.28 134.1 48.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.891 0.377 . . . . 0.0 111.142 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.42 -11.86 36.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.371 175.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -113.47 156.23 23.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 13.6 m -91.25 131.38 36.81 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -54.7 -41.06 69.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.037 0.446 . . . . 0.0 110.379 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' B' ' 14' ' ' LYS . 23.8 tt0 -50.56 -56.37 12.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.876 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.467 ' O ' HG13 ' B' ' 15' ' ' ILE . 15.7 ttt180 -66.34 -35.81 81.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.298 -173.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.409 ' O ' HG13 ' B' ' 16' ' ' ILE . 87.3 t -60.55 -53.48 48.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -67.11 -30.54 70.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.16 0.505 . . . . 0.0 110.34 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' B' ' 10' ' ' GLU . 28.2 tttt -60.99 -52.41 65.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.526 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 11' ' ' ARG . 79.5 mt -61.21 -43.4 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.649 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 81.1 mt -58.15 -47.87 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.682 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -67.21 -38.76 85.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.342 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.82 -44.86 91.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.935 0.398 . . . . 0.0 109.931 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.428 HD13 HD23 ' A' ' 37' ' ' LEU . 88.9 mt -60.2 -47.51 85.66 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.726 175.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.484 ' O ' HG23 ' B' ' 24' ' ' VAL . 81.0 mt -60.32 -38.35 83.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.278 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -63.09 -42.55 99.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.622 0.249 . . . . 0.0 110.739 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.448 HG11 ' HB3' ' A' ' 18' ' ' ASP . 63.5 t -59.78 -43.02 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.081 0.467 . . . . 0.0 110.179 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.03 -43.06 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.111 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 20' ' ' LEU . 91.7 t -68.3 -37.2 77.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.772 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -58.13 -39.49 78.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.839 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.44 ' HB2' HG13 ' B' ' 28' ' ' VAL . 35.5 mm-40 -86.14 -11.14 53.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.056 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 54.33 49.88 17.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.542 -175.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.44 HG13 ' HB2' ' B' ' 26' ' ' GLU . 33.5 m -68.31 142.11 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.308 -178.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 45.9 p -77.01 160.11 77.0 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.273 175.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.452 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 68.6 Cg_exo -52.52 -40.58 71.78 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 121.941 1.76 . . . . 0.0 111.282 174.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.46 -52.55 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.147 176.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.39 -42.05 93.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.044 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.22 -52.33 65.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 80.8 mt -59.73 -38.17 80.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.149 -178.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttp -66.36 -44.62 82.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.898 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 61.3 m -71.14 -48.9 49.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.541 HD13 HG22 ' A' ' 41' ' ' VAL . 88.8 mt -64.1 -40.13 95.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -178.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.61 -39.5 93.43 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.532 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -70.68 -37.59 73.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.624 0.25 . . . . 0.0 110.815 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.31 86.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.445 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 37' ' ' LEU . 73.7 t -61.52 -49.18 85.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.551 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.568 HG21 ' HB3' ' A' ' 67' ' ' SER . 89.6 m -56.28 -43.92 79.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 178.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.549 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 51.0 t30 -56.16 -38.48 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.12 -178.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 23' ' ' LEU . 63.7 mt -83.11 -41.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.631 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.461 HG21 ' HB ' ' B' ' 57' ' ' VAL . 62.9 mt -64.43 -33.14 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.063 0.459 . . . . 0.0 110.782 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.25 -9.25 57.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.355 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.1 mt-30 -93.62 -6.48 46.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.434 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -88.13 144.83 34.99 Favored Pre-proline 0 N--CA 1.449 -0.476 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -174.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -40.54 119.69 0.8 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.613 2.209 . . . . 0.0 111.414 172.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.568 ' HA ' ' HG2' ' B' ' 53' ' ' ARG . 25.1 tt0 -49.07 -37.66 21.86 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.631 0.582 . . . . 0.0 112.045 -172.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.8 t -57.32 -29.41 63.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.017 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -118.49 -12.26 9.84 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.326 -0.55 . . . . 0.0 112.255 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.568 ' HG2' ' HA ' ' B' ' 50' ' ' GLU . 3.7 ptp180 -65.9 -30.76 71.41 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.364 -0.535 . . . . 0.0 110.1 -178.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 44.3 t -73.26 -32.53 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.272 0.558 . . . . 0.0 110.049 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.89 -45.3 58.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.775 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' B' ' 53' ' ' ARG . 34.6 m -67.49 -31.22 51.74 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.63 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.461 ' HB ' HG21 ' B' ' 45' ' ' ILE . 11.0 p -76.1 -34.73 27.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.917 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.18 -45.72 69.28 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -59.57 -42.46 92.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.174 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -56.81 -59.55 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.419 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.573 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 21.4 p -64.03 -36.62 84.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.654 -176.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 85.0 tttt -63.22 -56.26 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.402 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.36 80.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.624 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.74 -46.66 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.596 ' HG2' HG22 ' A' ' 57' ' ' VAL . 51.8 mtmt -69.14 -25.78 64.55 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.23 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 29.2 mt-30 -69.05 -43.06 75.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.069 0.461 . . . . 0.0 110.345 173.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 m -66.83 -32.78 74.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.668 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 77.0 t -80.64 -37.91 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.847 177.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' B' ' 65' ' ' LYS . 15.3 tp -54.25 -52.49 61.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.376 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -121.45 77.38 1.33 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.27 175.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -100.76 -22.52 14.85 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.13 176.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -82.1 80.51 8.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.714 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -164.51 45.32 0.1 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.113 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 65.6 -84.01 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.054 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 168.64 -24.78 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -169.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 46.1 t60 . . . . . 0 C--O 1.25 1.126 0 CA-C-N 114.113 -1.403 . . . . 0.0 107.769 175.607 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.3 -61.46 0.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.301 2.001 . . . . 0.0 111.587 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.6 mm 67.77 -64.78 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.294 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -99.09 120.09 47.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.448 0.642 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 p -73.67 125.48 28.14 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.498 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 6' ' ' LYS . 35.4 ttpt -70.2 -30.45 67.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 -177.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.415 ' OH ' ' HB2' ' B' ' 32' ' ' LEU . 50.5 m-85 60.86 -161.58 0.28 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.275 -175.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.5 p -150.24 155.98 40.72 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -57.5 -35.24 69.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 123.166 0.291 . . . . 0.0 110.742 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.15 -52.97 63.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.877 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' HG13 ' A' ' 15' ' ' ILE . 28.4 tpt180 -54.38 -45.18 72.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.928 -177.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 16' ' ' ILE . 51.8 t -62.45 -57.59 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.168 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.94 -32.6 74.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.482 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 13.2 tmtt? -62.94 -49.49 74.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.26 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.419 HD13 HG12 ' B' ' 28' ' ' VAL . 78.9 mt -61.68 -42.66 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.325 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 72.7 mt -60.41 -48.39 88.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.58 176.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -60.47 -40.34 90.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.367 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.2 -42.91 96.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.157 0.504 . . . . 0.0 109.795 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.69 -44.87 95.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.402 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.9 mt -60.22 -38.85 84.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.597 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -57.01 -46.32 82.42 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.544 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 80.7 t -57.55 -44.53 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.625 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.37 -49.45 69.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.219 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 20' ' ' LEU . 57.4 t -65.36 -37.28 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.863 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -67.75 -11.13 57.76 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 111.681 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.641 ' HB2' HG13 ' A' ' 28' ' ' VAL . 79.4 mm-40 -101.34 -7.19 23.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.557 0.217 . . . . 0.0 110.701 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 55.78 40.32 30.74 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.564 -173.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.9 m -64.61 145.61 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.152 0.501 . . . . 0.0 111.575 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 p -83.11 159.52 62.3 Favored Pre-proline 0 N--CA 1.445 -0.678 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 172.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.479 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 9.2 Cg_endo -53.5 -44.81 45.84 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.481 2.121 . . . . 0.0 112.177 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.76 -43.02 90.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.436 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.44 HD11 HG22 ' B' ' 12' ' ' VAL . 61.1 tp -62.49 -45.09 94.61 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.763 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' B' ' 44' ' ' ILE . . . -58.69 -42.81 89.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -178.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 86.0 mt -60.96 -40.74 94.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.2 ttp -64.3 -41.3 96.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.652 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.1 m -70.0 -49.96 46.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.001 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.1 mt -61.09 -41.25 96.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.22 -41.03 92.62 Favored Glycine 0 C--N 1.329 0.159 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.599 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -76.02 -35.21 59.6 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.444 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.03 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 37' ' ' LEU . 58.9 t -60.47 -52.63 59.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.168 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.4 m -59.78 -35.44 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.306 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -60.34 -38.09 82.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.532 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 48' ' ' VAL . 16.0 tt -88.72 -25.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.899 -179.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 41' ' ' VAL . 55.9 mt -65.09 -32.61 59.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 121.271 0.558 . . . . 0.0 110.223 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.39 -16.53 62.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.984 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -86.34 -16.73 36.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.495 0.664 . . . . 0.0 109.842 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 44' ' ' ILE . 24.7 t -86.49 137.6 34.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.977 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.8 146.9 96.7 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.592 2.195 . . . . 0.0 112.523 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.584 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 3.0 mm-40 -54.23 -32.03 54.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.296 -175.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t -50.11 -33.63 19.36 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.578 0.549 . . . . 0.0 112.021 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -127.01 1.0 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.322 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.584 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 42.8 ttm180 -61.64 -45.96 91.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.917 0.389 . . . . 0.0 111.178 -178.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.89 -30.33 32.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.231 0.538 . . . . 0.0 110.304 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.2 -46.01 65.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.173 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.482 ' HB ' ' CD1' ' B' ' 34' ' ' LEU . 26.9 m -65.03 -37.48 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.683 -176.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.8 -33.93 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.772 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -69.37 -43.65 73.14 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.876 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -68.49 -35.66 77.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -61.95 -51.08 69.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.115 0.483 . . . . 0.0 110.283 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.8 p -65.27 -37.55 87.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.198 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -62.33 -49.45 75.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.121 0.486 . . . . 0.0 110.386 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.88 -39.31 84.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.502 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.7 mt -58.44 -55.15 38.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.181 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -55.62 -40.62 72.38 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.005 0.431 . . . . 0.0 111.151 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -68.54 -50.87 48.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.957 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.593 ' O ' ' HB2' ' A' ' 71' ' ' HIS . 34.0 p -72.54 -28.87 63.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.821 -173.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.6 t -74.31 -49.27 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.599 0.238 . . . . 0.0 111.464 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.91 -37.76 82.09 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -93.17 8.88 38.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.794 0.33 . . . . 0.0 111.402 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.593 ' HB2' ' O ' ' A' ' 67' ' ' SER . 27.1 t-80 -70.85 -17.46 62.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.68 0.276 . . . . 0.0 111.192 -177.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -104.38 1.32 30.04 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.931 -175.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -147.1 99.74 3.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.626 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -106.77 -34.41 7.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.373 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -115.91 99.56 7.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.902 0.382 . . . . 0.0 110.268 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.563 178.283 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.503 ' HB3' HG22 ' B' ' 3' ' ' ILE . 65.0 mtt . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.56 0.219 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.481 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 53.8 Cg_endo -88.94 12.86 2.62 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.073 2.515 . . . . 0.0 112.691 -176.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.503 HG22 ' HB3' ' B' ' 1' ' ' MET . 9.7 tt -81.39 96.77 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.7 0.762 . . . . 0.0 111.071 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 30.7 m -136.1 170.57 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.901 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.4 p -65.96 -18.83 65.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.912 0.387 . . . . 0.0 111.633 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -96.83 11.21 36.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 71.71 173.74 0.3 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.391 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.481 ' HB3' ' HB2' ' B' ' 2' ' ' PRO . 11.8 m -92.12 128.83 38.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.765 -176.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -58.31 -44.76 88.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.36 -43.23 95.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.721 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.523 ' O ' HG13 ' B' ' 15' ' ' ILE . 76.2 ttt180 -71.51 -40.04 70.41 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.067 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.458 ' O ' HG13 ' B' ' 16' ' ' ILE . 69.5 t -61.85 -43.79 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.66 -40.15 96.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.406 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' B' ' 11' ' ' ARG . 47.1 tttm -52.65 -55.48 22.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.318 175.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 11' ' ' ARG . 59.0 mt -55.6 -47.63 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.93 -178.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 12' ' ' VAL . 75.9 mt -58.06 -48.73 83.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -68.23 -34.65 76.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.025 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.531 ' O ' HG23 ' B' ' 22' ' ' VAL . 80.1 m-20 -64.94 -41.5 95.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.8 mt -61.34 -46.92 88.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.402 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.437 ' O ' HG23 ' B' ' 24' ' ' VAL . 91.1 mt -61.18 -38.37 86.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.32 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.04 -38.07 87.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.755 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.589 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 98.7 t -65.94 -38.06 81.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.272 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.595 ' HB2' ' CG2' ' B' ' 28' ' ' VAL . 4.0 pp -78.86 -22.11 46.55 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.139 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 20' ' ' LEU . 83.9 t -78.46 -36.01 19.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 171.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.589 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 79.0 tttt -50.73 -46.95 59.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.818 173.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -92.43 -11.2 35.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.602 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.25 66.35 1.25 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.05 -174.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.648 ' HA ' HD23 ' B' ' 32' ' ' LEU . 21.2 m -73.81 142.91 14.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.116 0.484 . . . . 0.0 110.969 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.556 HG22 ' HD2' ' B' ' 30' ' ' PRO . 0.0 OUTLIER -80.06 159.24 71.16 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 173.037 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.556 ' HD2' HG22 ' B' ' 29' ' ' THR . 94.8 Cg_exo -45.95 -52.22 7.32 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.854 2.369 . . . . 0.0 113.276 -178.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.03 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.648 HD23 ' HA ' ' B' ' 28' ' ' VAL . 60.5 tp -62.44 -41.07 98.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -58.34 -53.63 56.08 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.482 ' CD1' ' HB ' ' A' ' 56' ' ' VAL . 88.7 mt -61.54 -42.15 98.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.254 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.8 ttp -61.66 -43.86 98.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.31 . . . . 0.0 110.954 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 63.7 m -70.27 -46.69 63.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 0.0 110.706 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.593 ' O ' HG23 ' B' ' 41' ' ' VAL . 95.9 mt -60.87 -42.34 97.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.017 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.76 -43.8 86.8 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -70.16 -37.83 75.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.663 0.268 . . . . 0.0 110.608 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.06 92.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.858 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 37' ' ' LEU . 59.2 t -61.13 -52.48 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.064 177.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 30.7 m -61.12 -33.48 73.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.7 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -65.15 -37.27 86.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.149 -178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.464 HD13 ' CB ' ' A' ' 33' ' ' ALA . 19.8 tt -90.7 -22.1 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.931 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.439 HG13 ' O ' ' B' ' 41' ' ' VAL . 52.5 mt -67.57 -26.47 35.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.413 0.625 . . . . 0.0 109.518 171.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.74 -19.06 65.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.451 175.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -88.35 -1.54 58.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.219 0.533 . . . . 0.0 109.928 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.405 HG22 ' CB ' ' A' ' 30' ' ' PRO . 42.6 t -97.63 127.11 38.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.561 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -51.53 132.79 41.8 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.643 2.229 . . . . 0.0 111.715 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.56 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 3.0 mp0 -51.34 -31.36 21.63 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -174.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -52.66 -39.02 61.44 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.342 0.401 . . . . 0.0 111.513 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -114.52 -1.33 13.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.743 0.306 . . . . 0.0 110.745 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.56 ' HB3' ' HA ' ' B' ' 50' ' ' GLU . 40.4 ttm180 -62.71 -44.06 97.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.643 -178.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.15 -36.72 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.175 0.512 . . . . 0.0 110.182 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.27 -46.12 65.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.575 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.429 ' HB ' ' CD1' ' A' ' 34' ' ' LEU . 27.2 m -67.72 -39.14 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -175.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 p -70.91 -32.84 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.708 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -70.38 -48.3 56.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.624 0.249 . . . . 0.0 110.565 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -65.28 -29.75 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.237 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -61.69 -53.19 59.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 45.3 p -64.46 -33.83 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.818 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -62.49 -47.87 82.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 174.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.93 77.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.501 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.434 ' O ' HG23 ' B' ' 68' ' ' VAL . 73.9 mt -60.97 -58.6 7.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.948 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -59.12 -38.48 79.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.68 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' B' ' 70' ' ' GLU . 4.8 tp-100 -56.4 -60.13 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.266 175.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.3 m -63.16 -38.32 90.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.875 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 64' ' ' LEU . 71.3 t -61.12 -38.06 78.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.898 0.38 . . . . 0.0 110.845 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.487 ' HA ' ' CE1' ' B' ' 72' ' ' HIS . 88.5 mt -75.32 -36.92 60.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.281 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' B' ' 66' ' ' GLN . 6.3 mm-40 -79.95 -31.57 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -174.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -80.84 -22.09 40.22 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -173.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' B' ' 69' ' ' LEU . 19.9 p-80 -84.13 134.06 34.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.647 177.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -91.69 174.1 7.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.838 -170.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -150.19 164.89 34.5 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -82.4 65.78 7.69 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.298 0.57 . . . . 0.0 112.522 -173.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 60.1 t60 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.461 -0.781 . . . . 0.0 109.924 175.349 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 mmt . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.559 0.218 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -84.84 -168.65 0.54 Allowed 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.65 2.234 . . . . 0.0 111.33 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.57 102.04 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.095 0.474 . . . . 0.0 109.974 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.35 101.47 2.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.778 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -131.01 32.67 4.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.479 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 31.3 tttp -90.14 71.33 7.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.279 -173.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.433 ' CD2' ' HG2' ' A' ' 6' ' ' LYS . 4.3 m-85 61.16 -172.67 0.14 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.409 171.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.3 t -102.15 131.19 48.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.665 176.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.473 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 55.2 m-80 -58.09 -40.47 81.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.981 -177.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -56.46 -42.3 77.95 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.967 0.413 . . . . 0.0 110.877 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 15' ' ' ILE . 45.6 ttt180 -73.35 -36.97 66.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.502 -177.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 8' ' ' SER . 96.5 t -60.0 -46.09 94.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.362 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 9' ' ' ASN . 65.2 mt-10 -60.66 -37.29 81.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.441 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -66.25 -45.2 81.43 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.846 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 11' ' ' ARG . 71.6 mt -61.2 -45.74 98.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.916 0.389 . . . . 0.0 110.223 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.87 -46.64 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.647 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -62.67 -48.43 79.32 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.28 -44.42 79.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.282 0.364 . . . . 0.0 111.073 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD13 HD23 ' B' ' 37' ' ' LEU . 97.3 mt -62.82 -46.36 88.32 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 24' ' ' VAL . 86.9 mt -63.88 -37.04 85.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.66 -44.83 73.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.2 t -62.07 -46.47 96.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.758 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 HD21 ' A' ' 37' ' ' LEU . 91.5 mt -62.3 -44.84 95.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.045 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 20' ' ' LEU . 92.1 t -69.03 -37.25 76.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.385 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -56.8 -42.88 80.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.746 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -82.65 -12.26 57.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.76 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 56.55 47.6 18.28 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.204 0.526 . . . . 0.0 110.151 -174.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.12 137.05 25.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.624 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.5 155.21 81.52 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.73 173.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.454 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 84.0 Cg_exo -45.5 -51.18 8.34 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.983 2.455 . . . . 0.0 112.931 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.4 -47.3 85.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.285 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.56 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.802 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.79 -51.05 70.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.357 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.2 mt -59.28 -43.83 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.894 -178.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.0 ttp -61.99 -37.74 85.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.457 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.498 ' HA ' HG12 ' B' ' 16' ' ' ILE . 64.6 m -77.14 -46.94 21.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.9 mt -60.67 -52.82 63.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.192 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.64 -35.43 89.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.733 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -66.99 -44.3 80.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.109 0.481 . . . . 0.0 110.21 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -64.88 -43.66 92.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.574 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 37' ' ' LEU . 84.9 t -62.1 -46.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 t -69.52 -20.76 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.136 0.493 . . . . 0.0 110.954 -173.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -82.98 -31.04 27.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.187 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 40' ' ' ALA . 45.4 mm -72.49 -38.59 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.039 0.447 . . . . 0.0 110.372 178.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.76 -16.88 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.378 0.608 . . . . 0.0 110.727 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.589 ' HA ' HH11 ' A' ' 53' ' ' ARG . . . -74.13 -9.8 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.025 178.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -100.1 6.87 44.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.304 0.573 . . . . 0.0 110.009 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.0 t -102.93 124.36 38.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.802 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -52.23 133.7 48.36 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.787 2.324 . . . . 0.0 112.813 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.526 ' HG2' HH21 ' A' ' 53' ' ' ARG . 5.4 mm-40 -44.34 -34.27 1.91 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.6 t -55.68 -26.36 44.47 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.773 0.32 . . . . 0.0 111.244 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -130.8 1.07 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.389 176.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.589 HH11 ' HA ' ' A' ' 46' ' ' ALA . 12.8 ttm-85 -63.13 -47.51 82.46 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.963 0.411 . . . . 0.0 110.21 -178.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.9 -29.9 47.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.292 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.0 41.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.85 -35.98 72.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.89 -36.19 72.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.658 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -72.11 -44.21 63.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.09 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.07 -38.74 80.15 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.545 176.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.49 -53.31 59.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.302 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.462 HG22 HG22 ' B' ' 61' ' ' THR . 30.8 p -67.76 -34.51 76.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.476 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -66.37 -43.88 84.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.513 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.68 95.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.867 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 68' ' ' VAL . 43.6 mt -57.06 -49.53 75.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.546 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -60.57 -35.17 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.035 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.465 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 51.5 tt0 -66.84 -51.74 51.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.362 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.44 ' HB2' HG21 ' B' ' 42' ' ' THR . 26.1 p -69.98 -8.58 50.21 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 64' ' ' LEU . 69.9 t -88.91 -40.81 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.837 0.351 . . . . 0.0 110.264 172.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.5 -47.09 10.96 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -87.77 -14.79 38.75 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -171.705 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -70.74 99.17 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.248 0.547 . . . . 0.0 110.945 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -154.02 141.31 19.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.654 178.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -83.12 115.29 21.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.874 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -138.79 -84.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 174.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.417 ' HB3' ' H ' ' A' ' 76' ' ' HIS . 29.2 m170 52.81 -161.65 0.1 Allowed 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.662 0.601 . . . . 0.0 111.211 -176.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.417 ' H ' ' HB3' ' A' ' 75' ' ' HIS . 7.0 p80 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.06 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.823 ' HB3' ' HD3' ' B' ' 2' ' ' PRO . 15.4 tpt . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.781 -0.081 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.823 ' HD3' ' HB3' ' B' ' 1' ' ' MET . 1.7 Cg_endo -86.68 148.4 8.51 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 122.393 2.062 . . . . 0.0 111.269 173.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.3 pt -90.51 123.2 42.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.178 0.513 . . . . 0.0 111.077 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -81.82 -25.03 9.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.46 0.648 . . . . 0.0 109.999 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -111.23 174.37 5.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.028 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -97.45 -1.43 44.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.282 0.563 . . . . 0.0 109.827 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -134.86 -179.85 5.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.492 -177.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.0 m -82.69 118.55 23.42 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 173.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -53.45 -44.07 68.59 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.33 0.394 . . . . 0.0 111.527 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.36 -35.12 71.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.41 ' O ' HG13 ' B' ' 15' ' ' ILE . 78.1 ttt180 -74.59 -39.93 61.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.482 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.4 t -55.89 -51.46 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.52 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.5 -29.86 70.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.837 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -63.31 -41.76 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.052 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 72.6 mt -64.75 -45.02 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.061 178.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.498 HG12 ' HA ' ' A' ' 36' ' ' CYS . 71.5 mt -58.33 -45.29 89.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.342 176.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -65.51 -37.49 86.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.336 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.4 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.0 t70 -63.76 -40.96 97.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.855 0.359 . . . . 0.0 110.18 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 86.8 mt -60.42 -41.62 94.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.214 0.53 . . . . 0.0 109.88 175.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.03 -41.97 99.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.795 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.76 -41.72 96.04 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 18' ' ' ASP . 93.9 t -59.77 -41.04 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.034 0.445 . . . . 0.0 110.334 177.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.511 HD22 HG21 ' B' ' 28' ' ' VAL . 85.7 mt -68.28 -42.34 79.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.086 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 86.8 t -69.6 -34.81 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.713 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -55.61 -43.33 75.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.787 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.533 ' HB2' HG13 ' B' ' 28' ' ' VAL . 72.0 mm-40 -90.89 -12.58 35.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.625 -178.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 57.86 47.53 15.09 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -175.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.533 HG13 ' HB2' ' B' ' 26' ' ' GLU . 33.2 m -70.53 147.97 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.974 -174.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.422 HG23 ' H ' ' B' ' 32' ' ' LEU . 4.4 t -84.76 147.93 50.06 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.596 174.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.428 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 60.9 Cg_exo -41.24 -46.43 5.51 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.721 2.947 . . . . 0.0 113.795 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -58.08 -48.65 79.49 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.119 0.485 . . . . 0.0 110.975 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 7' ' ' TYR . 62.5 tp -65.87 -39.11 90.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.577 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.72 -51.03 70.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.942 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 91.8 mt -59.2 -42.69 91.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.557 -177.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttp -62.92 -43.03 99.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.019 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 61.9 m -72.98 -47.07 48.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.035 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.561 ' O ' HG23 ' B' ' 41' ' ' VAL . 95.4 mt -63.39 -47.79 80.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.73 -32.07 82.33 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.187 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -68.2 -41.66 81.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 109.71 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.407 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -63.63 -43.67 96.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.856 177.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 37' ' ' LEU . 60.5 t -56.62 -45.3 82.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.303 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.44 HG21 ' HB2' ' A' ' 67' ' ' SER . 91.2 m -58.96 -41.12 86.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.216 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -67.52 -29.58 69.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.037 0.446 . . . . 0.0 110.662 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.407 HG12 ' O ' ' B' ' 40' ' ' ALA . 47.9 mm -74.93 -46.72 39.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.717 177.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.04 -32.48 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.075 0.464 . . . . 0.0 111.195 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.7 -26.24 68.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.328 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -87.03 -3.75 59.11 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -87.57 146.18 38.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.554 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.84 134.61 63.74 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 121.991 1.794 . . . . 0.0 112.065 173.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.587 ' HA ' ' HD3' ' B' ' 53' ' ' ARG . 20.1 tt0 -58.27 -26.19 62.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.445 -175.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 35.3 t -54.14 -29.84 46.74 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.733 0.301 . . . . 0.0 111.38 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.421 ' O ' HG22 ' B' ' 56' ' ' VAL . 0.1 OUTLIER -124.57 20.58 8.64 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.371 -0.206 . . . . 0.0 110.918 -179.482 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.587 ' HD3' ' HA ' ' B' ' 50' ' ' GLU . 0.0 OUTLIER -63.96 -45.16 90.39 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.0 0.429 . . . . 0.0 111.844 -175.222 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.32 -30.41 15.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.13 87.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.137 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.421 HG22 ' O ' ' B' ' 52' ' ' LYS . 17.1 m -65.74 -38.63 82.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -178.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.7 p -76.87 -34.22 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.946 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -45.2 80.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.583 0.23 . . . . 0.0 110.806 177.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.81 -42.32 99.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 110.565 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.56 -53.05 62.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.342 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.462 HG22 HG22 ' A' ' 61' ' ' THR . 29.1 p -65.69 -43.25 89.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.482 -176.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 52.4 tttp -56.55 -55.27 35.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.77 76.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.129 -176.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 tt -70.39 -41.4 73.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.244 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' B' ' 61' ' ' THR . 68.3 mttm -57.99 -48.31 80.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.038 0.447 . . . . 0.0 110.486 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 91.4 mt-30 -62.09 -41.54 98.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.194 -177.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.0 m -68.71 -26.32 65.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.584 -176.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 74.4 t -75.36 -46.53 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.433 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.51 -34.89 79.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.827 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -93.51 14.8 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.656 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.7 80.66 5.89 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 175.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -70.53 139.82 51.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.549 -173.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -89.43 14.42 11.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.953 -169.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 29.7 m80 57.29 55.18 6.05 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.075 0.464 . . . . 0.0 110.571 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -76.63 122.24 24.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.616 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 . . . . . 0 C--O 1.245 0.828 0 CA-C-O 119.042 -0.504 . . . . 0.0 109.869 -177.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tmm? . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -72.33 141.65 35.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.999 2.466 . . . . 0.0 112.791 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.409 ' O ' HG12 ' A' ' 3' ' ' ILE . 14.2 tt -120.48 20.92 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.926 0.869 . . . . 0.0 109.364 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.3 m -58.07 -30.56 39.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.475 -175.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m -130.27 123.59 30.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.708 0.289 . . . . 0.0 110.329 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.55 ' HD2' ' CZ ' ' A' ' 7' ' ' TYR . 23.2 mmtt -98.94 -82.13 0.44 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.744 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.55 ' CZ ' ' HD2' ' A' ' 6' ' ' LYS . 6.3 m-85 -137.13 148.08 46.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -174.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.5 m -76.53 135.28 39.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.773 0.32 . . . . 0.0 110.138 176.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -57.61 -42.61 83.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.57 -176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.03 -40.45 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.177 0.298 . . . . 0.0 111.133 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.537 ' O ' HG13 ' A' ' 15' ' ' ILE . 53.5 ttt85 -64.85 -47.95 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.292 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 16' ' ' ILE . 40.4 t -60.31 -45.39 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 110.13 178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -56.83 -45.12 82.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.731 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -62.54 -43.44 98.81 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.081 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 11' ' ' ARG . 76.5 mt -58.02 -42.63 83.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.835 0.35 . . . . 0.0 110.205 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 12' ' ' VAL . 68.1 mt -59.89 -46.16 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.295 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -64.0 -40.75 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.918 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.67 -41.14 94.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.981 0.419 . . . . 0.0 110.76 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.54 HD13 HD23 ' B' ' 37' ' ' LEU . 79.1 mt -62.8 -41.18 99.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.084 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 98.1 mt -65.21 -35.68 81.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.509 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.86 -41.17 77.48 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.253 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.23 -45.94 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.716 176.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.66 -39.56 91.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.253 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.0 t -74.7 -30.38 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.741 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -59.6 -43.42 93.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.179 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -90.13 -16.9 28.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.762 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 56.53 54.67 7.2 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.588 0.709 . . . . 0.0 110.62 -174.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.72 156.65 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.157 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.7 p -79.0 159.75 72.71 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.565 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 70.7 Cg_exo -52.3 -40.38 70.35 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.203 1.936 . . . . 0.0 111.7 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -65.96 -50.18 65.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.839 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HB2' ' CE1' ' B' ' 7' ' ' TYR . 49.6 tp -59.63 -38.11 80.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.43 77.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.625 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 85.8 mt -62.29 -43.99 97.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.03 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 52.9 ttp -63.31 -41.45 98.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.291 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.0 m -72.69 -49.52 30.89 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.955 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.1 mt -63.13 -50.41 70.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.16 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.17 -36.05 91.79 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.359 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 35' ' ' MET . 14.8 t-20 -67.96 -41.55 82.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.177 0.513 . . . . 0.0 109.815 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.38 93.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.767 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.6 t -58.36 -45.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.189 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.2 m -57.96 -42.96 86.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.931 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -61.26 -36.96 81.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.203 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.52 -46.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.832 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.533 HG21 ' HB ' ' A' ' 57' ' ' VAL . 73.0 mt -63.73 -29.15 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.033 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.12 -22.49 66.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.183 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -86.98 -3.32 59.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 110.624 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.715 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 48.0 t -85.66 136.66 36.74 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.44 133.55 43.57 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.087 1.858 . . . . 0.0 113.014 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.527 ' CD ' HH21 ' A' ' 53' ' ' ARG . 5.4 tp10 -32.99 -52.02 0.32 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.314 -1.312 . . . . 0.0 113.546 -179.389 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -55.13 -31.47 61.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.292 -172.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.7 6.75 10.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.944 0.402 . . . . 0.0 110.714 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.715 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 23.0 ttp180 -81.83 -37.6 26.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.147 -173.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.19 -35.97 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.311 0.576 . . . . 0.0 110.082 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.71 -49.42 68.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.432 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.37 -37.85 80.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -175.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.533 ' HB ' HG21 ' A' ' 45' ' ' ILE . 11.1 p -70.28 -36.28 66.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 120.753 0.311 . . . . 0.0 111.374 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -77.54 -40.74 41.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.346 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -62.17 -39.85 94.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.476 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -54.47 -57.55 10.9 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.573 0.701 . . . . 0.0 110.263 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.6 HG22 HG22 ' B' ' 61' ' ' THR . 4.0 p -68.66 -35.1 76.79 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.941 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -66.44 -46.79 75.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 110.393 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.92 -30.94 71.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 tt -69.38 -41.19 76.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.225 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.554 ' HD2' HG22 ' B' ' 57' ' ' VAL . 10.9 mmmm -57.6 -44.3 85.34 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.074 0.464 . . . . 0.0 109.967 175.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.06 -42.74 84.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.244 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.8 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 19.9 p -77.41 -3.82 42.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.441 -176.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.2 t -95.26 -30.86 4.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.955 0.407 . . . . 0.0 110.234 170.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 94.8 mt -75.41 -59.85 2.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.462 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -77.12 -43.52 33.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.109 0.48 . . . . 0.0 111.116 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.8 ' HB3' ' O ' ' A' ' 67' ' ' SER . 45.1 t-80 -82.04 55.53 2.83 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.813 0.816 . . . . 0.0 109.767 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.406 ' HB2' HH12 ' B' ' 53' ' ' ARG . 11.6 p-80 -87.54 42.75 1.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.817 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 56.88 138.26 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.305 1.442 . . . . 0.0 112.817 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -170.72 112.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.719 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -62.63 135.21 57.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.129 0.49 . . . . 0.0 111.246 -174.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.427 179.44 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtm . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.512 0.196 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.44 -57.84 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.869 2.379 . . . . 0.0 111.834 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.8 tp -173.75 162.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 35.9 m -102.81 169.44 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -64.9 121.34 14.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 0.0 110.768 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -145.94 -45.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.058 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 71.1 m-85 -79.04 139.86 38.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.456 177.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.415 ' O ' HG23 ' B' ' 12' ' ' VAL . 2.6 p -96.38 123.15 39.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.048 176.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -58.06 -37.53 74.61 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.697 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.18 -33.54 74.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.522 ' O ' HG13 ' B' ' 15' ' ' ILE . 68.8 ttt180 -76.81 -45.78 27.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.277 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 8' ' ' SER . 94.1 t -57.19 -46.91 84.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.947 0.403 . . . . 0.0 110.569 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.82 -39.75 90.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.233 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -64.77 -41.48 95.83 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.165 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.7 mt -62.78 -49.21 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.986 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.422 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 68.9 mt -58.63 -44.2 89.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.23 0.538 . . . . 0.0 110.503 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -64.19 -43.89 93.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.586 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.465 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.5 t70 -60.79 -42.75 98.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.785 -177.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.79 -43.1 90.37 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.279 0.561 . . . . 0.0 110.336 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 24' ' ' VAL . 99.2 mt -61.17 -45.8 93.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.123 177.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -56.43 -35.67 68.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.246 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 77.1 t -63.83 -47.85 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.334 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.417 ' C ' HD12 ' B' ' 23' ' ' LEU . 4.2 pp -78.4 -16.51 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.359 -178.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 20' ' ' LEU . 25.6 t -71.48 -40.21 71.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.642 176.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 14.9 pttm -74.43 -22.97 58.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.413 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 39.2 mm-40 -83.6 -23.95 31.7 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.935 174.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 58.67 61.25 2.26 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.841 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.17 149.15 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.295 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.487 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 31.8 p -90.08 168.13 15.31 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.362 174.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.487 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 77.7 Cg_exo -51.0 -47.01 27.64 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.295 1.997 . . . . 0.0 111.916 177.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.07 -46.71 88.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.617 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 48.4 tp -69.74 -39.59 76.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.01 -175.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.6 -50.89 72.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.95 -40.85 98.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.031 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 44.1 ttp -66.72 -41.1 88.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.823 -175.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 21.2 p -76.61 -43.54 38.05 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.858 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 19' ' ' LEU . 92.5 mt -62.53 -41.15 98.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.601 0.239 . . . . 0.0 111.091 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.23 -43.53 97.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.637 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.579 ' HA ' HG22 ' B' ' 42' ' ' THR . 31.9 m-80 -73.2 -23.69 60.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.254 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.99 -32.41 69.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.964 0.411 . . . . 0.0 110.26 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 37' ' ' LEU . 66.0 t -77.28 -45.84 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.769 -177.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.579 HG22 ' HA ' ' B' ' 39' ' ' ASN . 7.8 t -60.49 -33.77 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.93 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -64.77 -32.74 74.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.84 0.352 . . . . 0.0 110.533 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -79.58 -48.26 21.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.809 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.455 HG22 ' HG3' ' B' ' 53' ' ' ARG . 58.5 mt -67.03 -28.51 43.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.482 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.5 -12.5 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -91.35 -13.55 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.351 0.596 . . . . 0.0 110.025 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 47.6 t -81.62 133.79 52.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.607 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.728 ' HB2' ' HD3' ' B' ' 52' ' ' LYS . 84.6 Cg_exo -46.74 130.2 15.09 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.08 2.52 . . . . 0.0 112.601 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.632 ' HG2' ' CZ ' ' B' ' 53' ' ' ARG . 22.1 mt-10 -56.75 -31.65 64.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.989 -173.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -56.43 -28.23 58.89 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.466 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.728 ' HD3' ' HB2' ' B' ' 49' ' ' PRO . 0.0 OUTLIER -125.11 4.14 7.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.801 0.334 . . . . 0.0 110.874 177.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.632 ' CZ ' ' HG2' ' B' ' 50' ' ' GLU . 42.5 ttm180 -64.68 -35.31 80.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.382 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 48.8 t -64.26 -34.69 70.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.764 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.34 -47.89 53.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.327 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.84 -37.08 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -176.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.554 HG22 ' HD2' ' A' ' 65' ' ' LYS . 12.7 p -70.64 -35.48 61.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 110.739 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.81 -45.75 67.22 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -57.38 -44.69 84.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.045 176.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.443 ' CE2' HG11 ' B' ' 41' ' ' VAL . 87.9 t80 -57.32 -54.3 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.582 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.6 HG22 HG22 ' A' ' 61' ' ' THR . 10.2 p -68.21 -35.4 77.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.558 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -61.17 -54.57 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 174.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.22 -33.74 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.15 -49.19 68.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.44 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' B' ' 61' ' ' THR . 62.0 mttm -57.54 -45.97 84.45 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.19 0.519 . . . . 0.0 109.779 176.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -57.5 -49.59 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.348 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.0 m -68.24 -39.25 82.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.75 -174.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 69.4 t -67.45 -44.63 86.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.661 0.267 . . . . 0.0 111.193 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 97.6 mt -69.44 -23.38 63.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.216 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -86.23 -34.45 20.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.173 0.511 . . . . 0.0 110.697 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -64.18 99.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.154 0.502 . . . . 0.0 110.42 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -60.62 145.58 48.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.096 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -82.81 74.74 9.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.401 0.62 . . . . 0.0 109.59 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 32.8 m170 67.38 171.11 0.26 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.285 -173.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -119.64 95.62 4.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.553 0.692 . . . . 0.0 110.625 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 73.5 t60 . . . . . 0 C--O 1.245 0.822 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.275 -179.849 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 24.4 mmt . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.747 0.308 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 12.8 Cg_exo -70.01 147.23 60.78 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.937 2.424 . . . . 0.0 112.738 -178.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt 48.2 36.36 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.607 1.163 . . . . 0.0 113.218 173.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.9 m -58.51 99.59 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.979 0.418 . . . . 0.0 111.048 176.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 77.7 p 59.24 1.79 0.25 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.372 1.069 . . . . 0.0 112.181 -175.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' HB2' ' NZ ' ' A' ' 6' ' ' LYS . 8.1 mtmp? 66.04 -66.14 0.17 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.208 0.603 . . . . 0.0 110.404 -172.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -150.27 121.58 7.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 174.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.6 m -81.97 160.08 23.41 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -58.49 -34.43 70.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.668 0.271 . . . . 0.0 110.449 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -64.85 -30.16 71.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.821 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 15' ' ' ILE . 54.6 ttt180 -76.77 -35.95 57.37 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 16' ' ' ILE . 60.8 t -58.74 -47.93 87.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 176.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.533 177.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -69.05 -47.88 64.23 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.739 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 11' ' ' ARG . 77.6 mt -58.58 -38.38 70.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.804 0.335 . . . . 0.0 110.663 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.49 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 73.6 mt -62.81 -41.18 91.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.081 175.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -66.33 -43.1 87.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.86 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -54.17 -48.88 70.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.05 0.452 . . . . 0.0 110.25 175.296 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 90.1 mt -64.76 -45.28 87.04 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.094 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 71.9 mt -61.57 -34.43 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.833 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.58 ' HA ' HG12 ' A' ' 24' ' ' VAL . 17.9 t70 -63.46 -40.99 98.59 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.395 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' B' ' 18' ' ' ASP . 61.1 t -58.02 -40.19 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.508 0.671 . . . . 0.0 110.455 176.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.504 HD22 HG21 ' A' ' 28' ' ' VAL . 84.2 mt -74.52 -37.08 63.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.398 -178.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.58 HG12 ' HA ' ' A' ' 21' ' ' ASP . 2.3 p -77.17 -23.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.339 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 56.4 mttp -52.13 -47.19 65.48 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.242 0.544 . . . . 0.0 109.764 170.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.53 ' HG3' HG12 ' B' ' 15' ' ' ILE . 8.4 mm-40 -98.85 -10.84 22.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.969 -173.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 52.76 53.36 12.28 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.25 0.548 . . . . 0.0 109.803 -172.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.504 HG21 HD22 ' A' ' 23' ' ' LEU . 34.3 m -61.74 148.76 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.166 -174.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.436 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 40.9 p -81.94 164.77 47.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.651 174.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.451 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 71.1 Cg_exo -50.51 -47.33 25.16 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.432 2.088 . . . . 0.0 112.696 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -66.8 -41.76 87.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.836 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' CD1' HG22 ' B' ' 12' ' ' VAL . 50.6 tp -66.36 -42.42 88.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.482 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.64 -55.37 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.105 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.514 HD22 HG13 ' B' ' 41' ' ' VAL . 72.7 mt -64.11 -37.35 87.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.158 -175.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.9 ttp -64.98 -42.43 94.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.933 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.3 m -67.34 -43.68 80.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.46 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.3 mt -61.44 -44.66 96.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.73 -43.07 86.66 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.003 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -67.89 -38.38 82.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.707 0.289 . . . . 0.0 110.623 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.42 -46.27 89.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.768 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 37' ' ' LEU . 54.6 t -60.64 -48.18 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.627 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.1 m -58.85 -37.39 76.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.7 -39.01 92.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.561 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -70.85 -44.9 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.514 HG21 ' HB ' ' A' ' 57' ' ' VAL . 62.2 mt -67.2 -23.95 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.357 0.599 . . . . 0.0 111.059 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.483 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -73.06 -10.39 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.281 178.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -97.38 0.28 47.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.221 0.534 . . . . 0.0 110.461 178.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.544 ' HB ' ' HG3' ' A' ' 53' ' ' ARG . 25.9 t -93.13 132.65 30.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.835 -177.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -61.93 129.24 26.74 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.356 2.037 . . . . 0.0 111.845 174.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HG2' ' H ' ' A' ' 50' ' ' GLU . 11.3 mm-40 -33.17 -44.99 0.13 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.517 1.127 . . . . 0.0 113.891 177.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 t -51.04 -23.15 2.78 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.536 0.523 . . . . 0.0 111.866 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.455 ' HG3' ' CG1' ' A' ' 48' ' ' VAL . 20.9 ptmt -135.26 1.96 2.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.198 176.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.544 ' HG3' ' HB ' ' A' ' 48' ' ' VAL . 20.7 ttm-85 -71.94 -40.95 68.35 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.104 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.3 t -70.71 -34.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.216 0.532 . . . . 0.0 109.841 -178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.33 68.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.341 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.3 m -68.06 -37.29 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.746 HG22 ' HG2' ' B' ' 65' ' ' LYS . 10.1 p -70.7 -39.2 75.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.092 -177.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.56 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 7.2 t70 -74.13 -36.55 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.38 -39.91 92.41 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.259 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -59.13 -49.84 76.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.194 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.579 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 65.5 p -67.46 -29.09 68.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.015 -179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -67.18 -51.34 54.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.738 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.47 77.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 68' ' ' VAL . 22.5 mt -58.2 -55.8 30.33 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.234 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' HD13 ' A' ' 69' ' ' LEU . 97.1 mttt -64.97 -27.54 68.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.883 0.373 . . . . 0.0 111.082 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -71.06 -39.93 71.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.821 0.344 . . . . 0.0 110.58 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 p -80.81 -36.45 31.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.258 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 64' ' ' LEU . 71.2 t -66.01 -28.31 43.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 120.931 0.396 . . . . 0.0 110.906 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 65' ' ' LYS . 9.8 mp -85.57 -2.6 58.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.014 0.435 . . . . 0.0 110.666 174.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.534 ' HG3' ' H ' ' A' ' 71' ' ' HIS . 7.9 tp10 -110.53 -117.67 0.29 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.534 ' H ' ' HG3' ' A' ' 70' ' ' GLU . 30.9 p80 41.32 33.23 0.25 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.178 0.991 . . . . 0.0 112.769 -176.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -65.33 -30.94 71.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 0.0 110.927 -176.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.76 109.36 10.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.51 177.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -87.18 -41.5 13.7 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -82.34 124.42 29.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.372 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.4 m170 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.068 176.528 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.416 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 3.9 mpp? . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 13.6 Cg_exo -69.98 100.6 0.86 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.779 2.319 . . . . 0.0 111.309 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.478 HG22 HG13 ' B' ' 4' ' ' VAL . 41.5 mt -73.54 -79.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.177 -175.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.478 HG13 HG22 ' B' ' 3' ' ' ILE . 27.3 m -137.35 18.61 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.156 0.503 . . . . 0.0 110.123 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 9.9 p -77.32 80.03 3.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.45 -175.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -122.85 -11.63 8.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.091 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 7.5 p90 40.4 -144.69 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 124.211 0.945 . . . . 0.0 112.309 -174.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.45 ' O ' HG23 ' B' ' 12' ' ' VAL . 26.1 t -153.35 147.41 25.56 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -61.41 -35.34 77.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -54.18 -48.74 70.62 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.353 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.61 ' O ' HG13 ' B' ' 15' ' ' ILE . 60.1 ttt180 -65.07 -42.78 93.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.51 -177.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 8' ' ' SER . 61.6 t -58.28 -51.63 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.218 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -62.04 -34.73 76.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.593 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' B' ' 14' ' ' LYS . 37.9 ttmt -70.8 -37.94 73.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.961 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.61 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.5 mt -62.7 -45.65 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.077 0.465 . . . . 0.0 110.232 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.53 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 64.6 mt -57.39 -38.24 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.283 177.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -67.88 -42.66 80.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.106 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.425 ' HB3' HG13 ' A' ' 22' ' ' VAL . 4.2 t70 -63.6 -35.35 80.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.103 0.477 . . . . 0.0 109.813 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.97 -43.67 95.04 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.366 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 97.7 mt -63.65 -43.12 97.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.713 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -50.56 -44.21 56.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.005 0.431 . . . . 0.0 110.602 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.87 -48.97 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.213 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.49 -43.85 96.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.435 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -71.89 -29.46 33.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.676 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -61.26 -38.36 86.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.463 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.672 ' HB2' HG13 ' B' ' 28' ' ' VAL . 52.0 mm-40 -87.99 -19.15 27.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.488 -177.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 60.79 41.9 14.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -173.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.672 HG13 ' HB2' ' B' ' 26' ' ' GLU . 29.5 m -58.3 145.54 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.935 -173.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.566 HG22 ' HD2' ' B' ' 30' ' ' PRO . 0.2 OUTLIER -80.28 148.77 67.79 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.003 173.309 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.6 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 80.5 Cg_exo -46.82 -48.91 13.22 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.724 2.283 . . . . 0.0 113.012 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.28 -44.48 95.33 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.101 0.477 . . . . 0.0 110.62 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.0 tp -64.83 -44.27 90.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.71 83.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.817 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 83.5 mt -61.01 -42.63 98.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.095 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.521 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 53.3 ttp -64.72 -43.2 94.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 70.8 m -73.7 -44.47 56.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.498 0.189 . . . . 0.0 111.392 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.502 ' O ' HG23 ' B' ' 41' ' ' VAL . 95.4 mt -66.73 -46.59 74.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.551 0.215 . . . . 0.0 111.083 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.2 -32.86 85.59 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.261 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' B' ' 35' ' ' MET . 11.0 t-20 -66.94 -34.73 78.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.379 0.609 . . . . 0.0 110.018 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.29 -30.42 66.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.108 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.514 HG13 HD22 ' A' ' 34' ' ' LEU . 91.5 t -68.34 -48.46 72.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.882 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' THR . . . . . 0.401 HG22 ' HA ' ' B' ' 39' ' ' ASN . 15.3 t -71.65 -19.13 62.14 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.92 -176.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -69.84 -43.83 71.15 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.23 -41.75 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.61 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.34 -25.67 35.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.411 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.73 -16.78 61.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.879 0.371 . . . . 0.0 111.159 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -85.81 -24.54 26.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.521 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.537 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 35.6 m -95.42 161.73 26.92 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.254 178.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' B' ' 48' ' ' VAL . 38.6 Cg_endo -67.53 153.42 76.49 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.81 2.34 . . . . 0.0 112.813 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.96 -30.43 61.71 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.102 -177.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -60.27 -16.17 31.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.518 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -112.66 -22.38 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.107 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' B' ' 49' ' ' PRO . 99.1 mtt180 -59.16 -59.71 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.822 -175.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.1 -36.93 77.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.239 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.13 -53.84 43.21 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.846 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.25 -46.71 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.638 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.92 -35.86 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.79 -175.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' B' ' 62' ' ' LYS . 38.6 t70 -70.42 -39.37 74.45 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.576 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -69.78 -40.7 75.89 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.237 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.18 -53.8 53.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.102 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.579 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 28.2 p -64.29 -44.28 92.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.606 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 58' ' ' ASP . 11.7 ttmm -58.64 -53.27 60.23 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.89 178.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.09 93.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.2 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 68' ' ' VAL . 2.1 mt -50.81 -58.77 5.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.381 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.746 ' HG2' HG22 ' A' ' 57' ' ' VAL . 53.3 mtmt -65.92 -36.39 83.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.563 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.431 ' HA ' ' OE1' ' B' ' 66' ' ' GLN . 15.7 mm-40 -68.93 -39.42 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.685 0.279 . . . . 0.0 111.119 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 24.8 m -68.47 -34.69 76.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.921 0.391 . . . . 0.0 110.703 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 64' ' ' LEU . 78.6 t -66.2 -41.73 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.461 176.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 96.5 mt -67.52 -34.16 76.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.862 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -78.79 -13.13 59.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.121 0.486 . . . . 0.0 110.938 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -79.87 11.32 3.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.204 0.526 . . . . 0.0 110.216 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -65.92 -31.75 72.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.481 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -155.17 132.74 11.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.511 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.422 ' O ' ' HB3' ' B' ' 75' ' ' HIS . 14.4 m80 -75.44 133.06 41.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 172.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.422 ' HB3' ' O ' ' B' ' 74' ' ' HIS . 53.7 t-80 72.04 119.42 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 O-C-N 124.013 0.82 . . . . 0.0 110.651 -175.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.27 177.128 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -68.62 144.27 59.72 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.836 2.357 . . . . 0.0 111.716 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -112.26 89.18 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.822 0.82 . . . . 0.0 112.192 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.09 7.8 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.539 177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m -74.59 103.16 4.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.276 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -95.86 -29.83 13.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.191 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -135.89 169.35 17.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.762 -177.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 12' ' ' VAL . 43.7 t -81.96 124.81 30.09 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.96 -35.27 74.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.019 0.438 . . . . 0.0 110.641 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 9.1 mp0 -61.69 -36.69 81.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.1 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -72.67 -36.87 68.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.161 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 8' ' ' SER . 58.2 t -61.11 -50.16 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.087 176.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -56.39 -35.39 67.69 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.038 177.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -64.59 -51.71 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 178.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.429 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 78.5 mt -62.23 -38.89 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -176.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.503 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 79.8 mt -59.74 -42.11 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 110.005 175.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -62.42 -45.86 91.21 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.533 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -60.54 -40.67 92.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.487 HD13 HD23 ' B' ' 37' ' ' LEU . 96.8 mt -67.59 -40.29 84.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 178.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 93.5 mt -61.86 -39.42 91.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.185 177.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -34.39 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.219 178.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.03 -47.64 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.277 0.56 . . . . 0.0 110.064 174.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.28 -42.94 99.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.914 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.94 -36.51 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.048 0.451 . . . . 0.0 110.993 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -62.11 -31.36 71.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.287 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.623 ' HB2' HG13 ' A' ' 28' ' ' VAL . 54.0 mm-40 -98.0 -16.75 19.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.264 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.81 43.44 25.05 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.118 0.485 . . . . 0.0 110.498 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.623 HG13 ' HB2' ' A' ' 26' ' ' GLU . 26.8 m -64.63 137.54 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.879 -176.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.7 p -78.41 162.25 66.91 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.127 175.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.477 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 83.8 Cg_exo -46.25 -56.88 2.56 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.072 2.515 . . . . 0.0 113.296 -178.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.03 -45.86 86.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.87 -44.23 93.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.696 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.09 86.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.266 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.9 mt -59.58 -44.62 93.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 -178.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.8 ttp -64.61 -30.01 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.199 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.547 ' HA ' HG12 ' B' ' 16' ' ' ILE . 64.0 m -82.32 -47.9 11.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.861 0.362 . . . . 0.0 110.954 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.592 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.5 mt -63.92 -50.27 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.508 -177.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.69 -30.7 78.44 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.51 -42.37 74.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.143 0.496 . . . . 0.0 109.797 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.87 95.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.646 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 37' ' ' LEU . 57.6 t -58.77 -52.05 64.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.089 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.8 m -60.24 -35.71 76.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.325 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -64.41 -38.48 91.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.344 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.8 tt -85.11 -25.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.181 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 41' ' ' VAL . 72.3 mt -64.93 -30.54 50.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.143 0.497 . . . . 0.0 109.766 173.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.55 -8.13 55.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.076 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -92.08 -9.78 41.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.455 0.645 . . . . 0.0 109.319 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.0 t -92.98 139.79 23.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.387 177.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.63 139.48 47.81 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.757 2.305 . . . . 0.0 112.504 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.532 ' HA ' ' HG3' ' A' ' 53' ' ' ARG . 43.6 mt-10 -56.36 -26.48 52.9 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.06 -177.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 t -48.08 -40.83 24.47 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.48 0.488 . . . . 0.0 111.374 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -123.37 15.51 9.7 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.532 ' HG3' ' HA ' ' A' ' 50' ' ' GLU . 94.2 mtt180 -61.06 -40.85 95.23 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.922 0.391 . . . . 0.0 110.638 178.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -69.48 -38.37 76.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.434 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.93 79.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.544 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.13 -37.53 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.8 p -75.18 -32.72 26.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.136 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.17 -33.73 61.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.843 0.354 . . . . 0.0 110.455 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -69.5 -32.79 71.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.994 0.426 . . . . 0.0 110.276 174.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.38 -50.34 65.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.923 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.7 p -65.52 -31.78 73.03 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -57.81 -57.16 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.754 174.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.2 88.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.462 -177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.4 mt -55.78 -57.27 12.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.301 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -56.92 -39.14 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -70.43 -34.51 72.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.694 -176.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 t -89.1 -10.91 45.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.84 0.352 . . . . 0.0 111.321 -176.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.3 t -92.92 -44.53 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.899 177.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.66 -39.57 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.188 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -129.18 111.08 12.55 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 173.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -108.89 -6.82 15.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.115 -172.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -173.61 -70.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -167.98 95.97 0.43 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.791 169.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -54.86 132.87 47.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.462 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -77.04 146.08 37.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.059 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.7 m170 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.708 175.308 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.2 mtp . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.45 133.12 11.59 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.64 2.227 . . . . 0.0 111.978 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -78.13 92.54 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.598 0.714 . . . . 0.0 110.856 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.49 134.45 44.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.952 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -166.01 162.34 17.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.341 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -137.6 17.54 2.9 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 59.77 -164.98 0.21 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.67 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.44 ' O ' HG23 ' B' ' 12' ' ' VAL . 16.8 m -80.12 112.24 17.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -60.0 -41.63 92.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -173.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.82 -40.96 76.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.32 176.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.575 ' O ' HG13 ' B' ' 15' ' ' ILE . 78.1 ttt180 -68.84 -42.74 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.518 178.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 8' ' ' SER . 96.6 t -55.23 -46.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.923 0.392 . . . . 0.0 110.481 178.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -65.37 -35.47 81.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.01 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -69.88 -26.14 64.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.004 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.575 HG13 ' O ' ' B' ' 11' ' ' ARG . 79.1 mt -68.64 -47.01 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.547 HG12 ' HA ' ' A' ' 36' ' ' CYS . 52.5 mt -58.94 -44.75 91.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.854 174.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.482 ' HA ' HD12 ' B' ' 20' ' ' LEU . 18.3 tm0? -67.44 -32.06 72.67 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.413 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.55 -35.89 78.04 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 85.3 mt -61.42 -45.65 93.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.605 172.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' B' ' 17' ' ' GLN . 85.5 mt -62.14 -36.95 83.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.661 177.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.449 ' HA ' HG12 ' B' ' 24' ' ' VAL . 26.2 t70 -63.79 -35.91 82.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.737 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 93.3 t -73.32 -37.26 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.085 0.469 . . . . 0.0 110.114 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.565 HD22 HG21 ' B' ' 28' ' ' VAL . 90.8 mt -63.12 -39.46 94.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.631 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' B' ' 21' ' ' ASP . 10.4 p -83.73 -25.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.707 0.289 . . . . 0.0 110.38 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -53.7 -47.58 70.35 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.1 0.476 . . . . 0.0 110.487 172.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.51 -10.97 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.406 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 54.11 66.93 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.51 -173.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.565 HG21 HD22 ' B' ' 23' ' ' LEU . 19.8 m -76.94 173.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.602 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.52 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 25.6 p -111.37 166.99 9.73 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.76 176.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.52 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 7.1 Cg_endo -50.35 -49.75 15.54 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.768 2.312 . . . . 0.0 112.419 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.17 -51.22 65.02 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.677 0.751 . . . . 0.0 110.363 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -67.87 -39.21 83.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.827 -173.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.37 -50.18 70.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.182 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.45 -44.61 92.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.726 0.298 . . . . 0.0 111.163 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 42.7 ttp -63.96 -38.41 90.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.44 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m -77.09 -47.66 19.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.673 0.273 . . . . 0.0 110.999 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.609 ' O ' HG23 ' B' ' 41' ' ' VAL . 94.8 mt -61.95 -49.62 75.4 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.998 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.84 -31.43 75.85 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.412 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.81 -45.27 78.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.235 0.54 . . . . 0.0 109.7 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.87 95.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.742 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 37' ' ' LEU . 55.7 t -58.03 -49.99 79.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 121.177 0.513 . . . . 0.0 109.83 177.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.1 m -63.3 -33.26 75.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.145 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -63.47 -48.29 78.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.742 177.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.36 -41.85 93.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.239 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 41' ' ' VAL . 69.6 mt -62.89 -31.39 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.237 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.92 -14.31 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.873 0.368 . . . . 0.0 111.247 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -93.38 -3.03 54.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.554 0.693 . . . . 0.0 110.128 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.515 ' O ' ' HD3' ' B' ' 53' ' ' ARG . 48.6 t -85.53 140.63 36.05 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.578 178.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.86 145.66 90.74 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.091 1.86 . . . . 0.0 112.028 175.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.446 ' CD ' HH21 ' B' ' 53' ' ' ARG . 5.2 tp10 -55.91 -32.45 63.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.379 -170.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 31.0 t -55.65 -47.78 76.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.418 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.433 ' HG3' ' CG1' ' B' ' 48' ' ' VAL . 18.2 ptpt -106.34 -1.8 22.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.357 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ARG . . . . . 0.515 ' HD3' ' O ' ' B' ' 48' ' ' VAL . 24.5 ttp180 -62.0 -37.56 85.3 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 111.525 -175.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.15 -35.39 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.468 0.651 . . . . 0.0 110.016 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.72 -44.95 72.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.565 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.08 -39.05 84.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.449 ' HB ' HD13 ' B' ' 45' ' ' ILE . 7.2 p -70.87 -36.54 64.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.698 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.25 -44.59 71.64 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.57 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -61.58 -37.03 82.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.231 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.59 -54.54 44.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.156 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 41.4 p -63.11 -36.55 83.98 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.254 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -63.06 -49.31 75.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.467 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.67 88.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.147 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -56.19 -54.55 43.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.333 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -56.92 -42.56 80.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.008 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -69.24 -32.91 72.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.344 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.8 m -79.24 -23.32 43.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.71 -177.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.2 t -85.72 -41.07 15.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.907 0.384 . . . . 0.0 110.408 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.99 -56.61 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.261 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -80.83 -60.98 2.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.024 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 40.4 t60 65.6 -70.51 0.09 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.827 -178.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -60.52 101.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.69 0.619 . . . . 0.0 112.248 -172.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 42.6 t60 45.07 82.37 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 O-C-N 124.187 0.929 . . . . 0.0 112.275 174.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -125.89 113.47 17.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.278 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -174.8 126.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.168 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 C--O 1.245 0.823 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.235 179.018 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.6 p . . . . . 0 N--CA 1.45 -0.456 0 CA-C-O 120.503 0.192 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.97 -36.01 74.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.767 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -52.24 -48.98 64.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.259 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.5 ttt180 -66.98 -40.17 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.24 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 8' ' ' SER . 78.0 t -54.96 -50.53 61.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.742 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.92 -39.16 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.673 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -64.65 -37.55 87.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.01 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 11' ' ' ARG . 95.8 mt -65.73 -46.13 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.149 176.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 70.9 mt -59.2 -41.82 85.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.048 0.451 . . . . 0.0 109.915 176.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -57.47 -49.13 77.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.864 177.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.5 -38.46 91.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.563 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 96.1 mt -59.77 -41.92 92.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 175.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 24' ' ' VAL . 95.8 mt -63.4 -43.92 96.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.208 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.51 -40.46 75.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.732 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 73.6 t -58.64 -53.29 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.513 175.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.09 -39.13 91.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.483 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 20' ' ' LEU . 99.5 t -68.07 -41.84 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.556 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 14.6 pttm -70.84 -19.61 62.63 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.79 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 57.8 mm-40 -88.88 -11.92 43.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.313 176.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 49.84 64.25 1.85 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.444 -170.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.466 HG13 ' HB2' ' A' ' 26' ' ' GLU . 34.2 m -80.95 151.14 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.663 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.545 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 31.1 p -97.86 167.62 11.41 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.246 173.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.545 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 10.0 Cg_endo -53.85 -44.21 51.25 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.112 1.875 . . . . 0.0 111.69 175.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.31 -54.34 46.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.422 0.629 . . . . 0.0 110.014 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.35 -41.94 88.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.192 -175.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.16 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.942 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.09 -39.87 95.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.7 ttp -64.3 -43.99 93.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.353 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.0 m -70.42 -46.42 63.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.602 0.239 . . . . 0.0 111.221 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 41' ' ' VAL . 89.6 mt -62.51 -38.26 89.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.065 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.95 -46.05 91.45 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.508 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -69.62 -35.71 75.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.78 0.324 . . . . 0.0 110.639 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -62.83 -48.41 79.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.42 177.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.8 t -61.91 -43.15 97.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.726 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -56.52 -41.42 76.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.974 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.54 -32.63 72.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.884 0.374 . . . . 0.0 110.663 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 40' ' ' ALA . 46.2 mm -68.93 -44.4 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.073 0.463 . . . . 0.0 110.247 177.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 41' ' ' VAL . 59.1 mt -68.55 -20.91 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.479 0.657 . . . . 0.0 110.344 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.615 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -74.89 -10.66 59.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.91 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -93.89 -6.28 46.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.15 0.5 . . . . 0.0 110.004 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.0 t -96.91 127.48 38.93 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.187 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -52.46 136.33 56.21 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.983 2.455 . . . . 0.0 112.901 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.761 ' HG3' HH21 ' A' ' 53' ' ' ARG . 7.9 mt-10 -53.0 -21.87 4.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.2 t -65.69 -19.71 66.01 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.681 0.276 . . . . 0.0 111.399 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -139.69 11.31 2.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 111.075 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.761 HH21 ' HG3' ' A' ' 50' ' ' GLU . 12.9 ttm180 -70.39 -37.74 74.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.124 -173.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.4 t -75.52 -28.31 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.251 0.548 . . . . 0.0 109.857 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.78 -45.6 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.849 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.4 m -69.06 -38.16 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.744 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.5 p -71.03 -31.68 45.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.779 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -72.14 -43.09 65.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.697 0.284 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -67.28 -36.29 81.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.729 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.46 ' CE2' HG11 ' A' ' 41' ' ' VAL . 81.5 t80 -58.12 -56.09 26.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.287 0.565 . . . . 0.0 110.064 174.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.533 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 22.7 p -63.83 -38.25 90.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.447 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.98 -49.06 79.16 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.61 76.37 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.324 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 68' ' ' VAL . 21.3 mt -58.28 -58.07 10.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 176.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -64.26 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.094 -177.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -60.93 -51.23 70.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.862 0.363 . . . . 0.0 110.587 173.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 m -63.02 -39.65 95.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.321 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 64' ' ' LEU . 71.2 t -61.39 -40.75 87.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.359 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 C--N 1.328 -0.358 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.371 -179.388 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.506 ' O ' HG23 ' B' ' 12' ' ' VAL . 6.5 m . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -61.59 -37.59 84.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.242 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' B' ' 10' ' ' GLU . 1.8 mp0 -55.93 -50.99 69.2 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.437 ' O ' HG13 ' B' ' 15' ' ' ILE . 21.4 ttt180 -59.09 -43.38 91.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.893 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 8' ' ' SER . 88.5 t -57.79 -54.1 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.152 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.518 ' HA ' HD12 ' B' ' 16' ' ' ILE . 47.7 mt-10 -70.09 -26.53 64.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.553 -177.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -67.31 -44.56 78.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 110.406 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.437 HG13 ' O ' ' B' ' 11' ' ' ARG . 80.1 mt -61.44 -40.27 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.218 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' B' ' 13' ' ' GLU . 67.0 mt -57.95 -43.88 85.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.014 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.67 -46.34 79.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.097 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.403 ' O ' HG23 ' B' ' 22' ' ' VAL . 26.0 t70 -63.14 -32.8 74.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.969 -177.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.05 -43.8 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.13 0.49 . . . . 0.0 110.197 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 96.8 mt -64.03 -33.81 76.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.511 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.568 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 2.6 m-20 -58.41 -45.68 87.93 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.327 175.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 18' ' ' ASP . 49.1 t -56.55 -44.69 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.229 0.537 . . . . 0.0 110.433 177.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.476 HD22 HG21 ' B' ' 28' ' ' VAL . 86.1 mt -67.92 -33.92 75.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.555 -177.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' B' ' 21' ' ' ASP . 9.2 p -83.62 -25.41 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' B' ' 21' ' ' ASP . 96.3 mttt -62.38 -34.85 77.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.972 0.415 . . . . 0.0 110.346 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -98.45 -7.91 27.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.887 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 50.5 49.21 21.19 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.485 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.476 HG21 HD22 ' B' ' 23' ' ' LEU . 21.5 m -64.2 151.93 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.703 -175.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 82.7 p -81.58 159.6 66.41 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.716 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.6 -45.61 36.82 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.599 2.2 . . . . 0.0 112.228 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.57 -45.06 95.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 tp -66.06 -45.49 81.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.714 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.34 80.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.072 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.64 -40.97 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.2 ttp -67.42 -44.07 79.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.106 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 91.1 m -67.13 -46.89 72.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.133 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.572 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.0 mt -64.29 -40.53 96.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.779 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.67 -41.3 93.67 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.748 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -69.97 -37.01 75.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.734 0.302 . . . . 0.0 110.636 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.33 94.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.611 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 37' ' ' LEU . 63.0 t -60.94 -48.97 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.431 177.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 38.0 m -58.56 -40.16 82.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.323 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 48.2 t-20 -58.21 -44.63 88.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 110.184 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mm -67.75 -42.26 86.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.523 HD13 ' HB ' ' B' ' 57' ' ' VAL . 70.2 mt -65.72 -29.53 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.019 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.54 -22.34 63.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.047 0.451 . . . . 0.0 110.607 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.9 mt-30 -86.38 -5.95 59.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.283 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 28.7 t -94.14 135.65 24.35 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.97 140.51 58.89 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.102 2.534 . . . . 0.0 112.499 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' B' ' 53' ' ' ARG . 42.8 tt0 -58.32 -31.5 67.6 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -171.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 43.3 t -53.45 -33.34 53.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 0.0 111.183 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.84 3.11 10.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.775 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.479 ' CB ' ' HA ' ' B' ' 50' ' ' GLU . 41.8 ttm180 -64.1 -41.11 97.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.033 -176.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -73.83 -30.59 28.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.287 0.565 . . . . 0.0 110.215 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.65 -44.85 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.233 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.88 -38.3 81.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.523 ' HB ' HD13 ' B' ' 45' ' ' ILE . 7.7 p -71.15 -38.03 69.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.839 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.01 -47.45 74.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.279 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.88 -36.77 82.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.391 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.9 -53.92 52.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.978 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.533 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 41.1 p -64.5 -39.22 93.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.503 -178.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 87.6 tttt -61.35 -52.04 66.29 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.071 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.39 -32.73 74.29 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.222 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.465 ' O ' HG23 ' B' ' 68' ' ' VAL . 0.7 OUTLIER -57.24 -47.26 81.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.598 176.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -65.14 -34.95 79.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 23.0 mt-30 -62.15 -46.51 88.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 7.2 p -70.83 -35.41 72.45 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -175.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 64' ' ' LEU . 82.9 t . . . . . 0 C--O 1.235 0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 111.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -56.83 -32.63 65.94 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 123.328 0.393 . . . . 0.0 110.165 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.29 -40.61 97.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.481 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.463 ' O ' HG13 ' A' ' 15' ' ' ILE . 67.1 ttt180 -79.34 -39.07 33.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.712 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 16' ' ' ILE . 84.0 t -60.66 -41.0 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -55.18 -46.28 75.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.243 173.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -60.03 -45.91 91.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.583 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 11' ' ' ARG . 68.4 mt -61.83 -46.78 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.662 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 12' ' ' VAL . 75.9 mt -59.16 -46.78 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.391 . . . . 0.0 110.316 176.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -64.37 -37.14 86.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.827 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.413 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.1 t0 -70.53 -37.71 74.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.984 0.421 . . . . 0.0 110.042 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.77 -46.49 81.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.311 174.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 97.8 mt -64.29 -33.17 75.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.466 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.66 -34.91 78.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.408 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 18' ' ' ASP . 87.7 t -66.04 -42.68 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.121 0.486 . . . . 0.0 110.18 174.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.44 -33.4 75.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.663 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.7 t -80.8 -32.26 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.014 0.435 . . . . 0.0 110.638 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -55.32 -40.62 71.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.072 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' HG3' HG12 ' B' ' 15' ' ' ILE . 30.5 mm-40 -89.35 -22.89 22.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.972 176.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 56.64 75.04 0.37 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.708 -166.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.4 HG13 ' HB2' ' A' ' 26' ' ' GLU . 27.8 m -89.14 152.0 3.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.278 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -79.76 156.9 74.9 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -49.0 -42.54 38.12 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.411 2.074 . . . . 0.0 112.122 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -63.52 -51.13 66.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -62.54 -39.68 94.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.817 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.42 -55.03 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.0 -40.52 89.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.792 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.4 ttp -62.13 -45.56 92.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.7 m -67.83 -45.69 73.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.602 0.239 . . . . 0.0 110.789 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.7 mt -61.13 -42.79 99.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.894 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.85 -43.22 94.83 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.693 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -69.61 -35.47 75.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.668 0.271 . . . . 0.0 110.539 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.19 82.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.691 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 37' ' ' LEU . 57.3 t -60.26 -48.8 86.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.292 177.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.1 m -59.4 -37.4 77.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.1 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.56 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 43.5 t30 -60.19 -43.39 95.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.756 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -68.17 -43.05 85.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.216 0.531 . . . . 0.0 110.269 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.537 HG22 ' HG3' ' A' ' 53' ' ' ARG . 59.3 mt -68.72 -26.53 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.486 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.16 -16.35 59.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.786 0.327 . . . . 0.0 111.331 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 77.2 mt-30 -85.77 -34.77 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.864 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 45' ' ' ILE . 31.5 m -72.35 150.01 91.62 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.48 145.13 98.88 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.588 2.192 . . . . 0.0 111.203 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.685 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 15.4 tt0 -67.43 -8.72 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.083 0.468 . . . . 0.0 111.334 -174.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -61.94 -29.44 70.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.806 174.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' HG22 ' A' ' 56' ' ' VAL . 29.5 mtpp -111.61 -19.68 12.42 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.094 0.473 . . . . 0.0 110.404 177.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.685 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 41.0 ttm180 -57.37 -41.13 79.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.956 -168.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.67 -35.67 18.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.211 0.529 . . . . 0.0 110.719 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.06 -42.93 72.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.121 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 52' ' ' LYS . 23.9 m -67.83 -35.88 73.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.4 p -74.39 -35.34 39.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.936 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.71 -43.09 80.89 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.206 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -65.71 -39.52 91.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -57.8 -55.5 34.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.406 0.622 . . . . 0.0 110.287 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.626 ' OG1' ' HE3' ' B' ' 65' ' ' LYS . 23.0 p -66.55 -40.75 89.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.618 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -59.22 -44.62 92.29 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.777 0.322 . . . . 0.0 110.771 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 66' ' ' GLN . . . -63.5 -42.1 98.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.001 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -55.1 -51.96 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.734 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.15 -48.52 76.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.549 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -76.12 -19.71 58.27 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -174.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.0 m -87.81 -21.97 24.77 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.221 0.534 . . . . 0.0 110.797 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -93.34 -48.79 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.436 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.663 0.268 . . . . 0.0 110.76 -178.726 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.483 ' O ' HG23 ' B' ' 12' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -62.15 -22.31 65.75 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.897 0.38 . . . . 0.0 110.655 -177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -62.08 -53.85 49.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.873 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.506 ' O ' HG13 ' B' ' 15' ' ' ILE . 66.8 ttt180 -71.88 -37.83 70.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.274 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 8' ' ' SER . 96.6 t -59.18 -53.0 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.717 0.294 . . . . 0.0 111.023 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -71.72 -26.88 62.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.119 0.485 . . . . 0.0 110.048 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.47 -49.19 78.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.462 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.9 mt -60.19 -45.95 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.558 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.514 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 73.4 mt -56.89 -45.19 83.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.367 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.96 -47.23 84.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.874 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -63.56 -34.77 78.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.08 0.467 . . . . 0.0 110.398 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.4 mt -67.11 -39.11 86.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.597 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 94.2 mt -65.03 -34.44 78.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.27 177.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.94 -39.58 92.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.488 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.71 -41.19 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.08 0.466 . . . . 0.0 110.669 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.34 -44.96 89.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.254 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p -76.73 -24.62 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.702 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -60.34 -38.83 85.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.861 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.48 ' HB2' HG13 ' B' ' 28' ' ' VAL . 70.8 mm-40 -94.63 -9.58 34.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.035 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 55.95 48.92 16.9 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.129 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.48 HG13 ' HB2' ' B' ' 26' ' ' GLU . 24.6 m -71.43 152.56 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.411 -177.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 19.1 p -82.46 160.33 62.28 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.83 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -53.48 -37.2 82.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.361 2.041 . . . . 0.0 111.934 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.59 -50.23 65.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.343 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.34 -38.83 92.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.771 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.26 -57.01 13.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.77 -39.09 93.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.019 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 57.2 ttp -64.39 -41.49 96.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.22 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -70.58 -41.82 71.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.592 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 41' ' ' VAL . 94.0 mt -61.87 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.752 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.28 -42.67 95.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.427 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -65.72 -39.91 91.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.615 0.245 . . . . 0.0 110.944 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.408 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -62.42 -48.09 81.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 37' ' ' LEU . 78.6 t -57.9 -47.99 85.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.676 178.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.1 m -57.95 -40.52 80.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.258 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 10.5 t30 -66.83 -33.76 76.32 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.855 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.408 HG12 ' O ' ' B' ' 40' ' ' ALA . 46.2 mm -70.33 -45.88 73.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 0.0 110.327 177.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.521 HG22 ' HG3' ' B' ' 53' ' ' ARG . 63.7 mt -66.69 -26.04 36.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.7 -13.41 61.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.401 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 70.9 mt-30 -89.34 -5.91 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.362 0.601 . . . . 0.0 110.012 177.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 22.6 t -100.45 125.75 38.2 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.296 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -51.9 143.99 37.57 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.822 2.348 . . . . 0.0 112.283 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.574 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 40.8 mt-10 -55.94 -26.12 46.44 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -175.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.413 ' HB3' ' HD2' ' B' ' 52' ' ' LYS . 47.0 t -50.03 -34.41 21.27 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.538 0.524 . . . . 0.0 111.431 177.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -132.12 15.97 4.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.087 0.47 . . . . 0.0 110.523 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.574 ' HB3' ' HA ' ' B' ' 50' ' ' GLU . 43.5 ttm180 -74.62 -36.5 62.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.621 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.62 -38.85 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.138 0.494 . . . . 0.0 109.81 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.32 82.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.28 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 31.0 m -68.05 -39.9 82.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 p -71.32 -37.87 67.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.002 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.21 -46.85 75.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.63 -42.07 82.62 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.742 177.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.17 -51.51 69.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.518 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.406 HG22 HG22 ' A' ' 61' ' ' THR . 34.5 p -67.18 -34.58 77.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.723 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -64.44 -45.32 87.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.76 91.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 28.0 mt -55.38 -57.61 11.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.292 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.626 ' HE3' ' OG1' ' A' ' 61' ' ' THR . 88.0 mttt -59.97 -34.32 73.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.862 -175.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -70.99 -51.56 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.187 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 12.8 t -61.48 -38.77 88.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -175.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.266 179.329 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -62.39 -28.61 69.9 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.69 0.281 . . . . 0.0 111.194 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.13 -39.6 86.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.334 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.483 ' O ' HG13 ' A' ' 15' ' ' ILE . 61.5 ttt180 -72.75 -37.02 67.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.169 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 16' ' ' ILE . 58.8 t -55.24 -50.25 66.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.557 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 16' ' ' ILE . 31.6 tt0 -70.54 -29.92 66.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.688 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.18 -45.89 89.85 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.29 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 11' ' ' ARG . 62.3 mt -63.83 -37.86 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.358 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 13' ' ' GLU . 71.0 mt -59.15 -47.89 88.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.029 0.442 . . . . 0.0 109.908 175.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -61.86 -44.09 97.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.528 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -45.51 77.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.586 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 90.1 mt -65.06 -42.63 94.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.865 178.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.7 mt -60.62 -42.08 96.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.695 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.42 -37.38 80.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.5 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.96 -37.23 83.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.02 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -79.17 -32.69 15.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.839 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -58.44 -40.79 83.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.169 0.509 . . . . 0.0 110.659 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 28' ' ' VAL . 13.7 mm-40 -86.29 -21.37 27.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.06 178.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 58.38 66.82 1.02 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.506 -173.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 26' ' ' GLU . 23.8 m -92.24 166.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.746 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -89.65 161.73 38.29 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.473 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 51.8 Cg_exo -55.28 -44.28 50.49 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.277 1.985 . . . . 0.0 111.691 177.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.88 -46.25 90.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.668 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.605 HD11 HG22 ' B' ' 12' ' ' VAL . 63.0 tp -65.44 -42.05 92.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.761 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.28 -48.45 78.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.9 mt -59.65 -45.88 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.18 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.5 ttp -61.05 -41.24 96.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.9 m -69.21 -48.7 61.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.85 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.9 mt -58.58 -42.67 88.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.756 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.82 -47.93 82.21 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.278 -0.487 . . . . 0.0 112.745 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -69.69 -32.76 71.54 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.888 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.8 85.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.896 0.379 . . . . 0.0 110.264 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 37' ' ' LEU . 88.6 t -59.9 -46.68 93.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.255 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.51 HG23 HG22 ' B' ' 68' ' ' VAL . 43.2 m -60.45 -26.92 67.12 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.32 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -73.45 -45.07 56.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.506 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -65.78 -41.06 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.039 0.447 . . . . 0.0 110.825 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.608 HG22 ' HG3' ' A' ' 53' ' ' ARG . 58.9 mt -71.08 -17.04 19.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.916 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.42 -6.66 59.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 110.983 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -87.11 -10.3 53.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.1 m -105.7 155.3 38.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.681 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.11 140.03 80.45 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.895 2.397 . . . . 0.0 111.481 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.683 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 4.3 pt-20 -64.67 -17.16 63.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -174.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.5 t -58.51 -42.78 88.46 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.931 0.396 . . . . 0.0 110.332 172.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' O ' HG23 ' A' ' 56' ' ' VAL . 57.3 mttm -92.91 -26.96 17.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.322 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.683 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 32.0 ttm180 -51.46 -48.52 62.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.928 -174.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.43 -44.5 94.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.63 -43.5 93.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.178 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 52' ' ' LYS . 94.5 t -63.92 -47.28 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.444 -178.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.47 -37.36 79.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.429 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.524 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 37.5 t70 -70.43 -41.26 73.1 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.887 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -64.13 -35.86 82.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.901 0.381 . . . . 0.0 110.196 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.68 -54.58 44.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.819 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.948 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 44.8 p -63.35 -36.63 84.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.55 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -62.53 -48.0 81.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.749 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.67 -30.62 70.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.028 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 68' ' ' VAL . 10.5 mt -57.47 -59.07 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.243 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.569 ' HG2' HG22 ' B' ' 57' ' ' VAL . 8.9 mtmp? -62.11 -35.52 78.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.982 0.42 . . . . 0.0 110.571 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.91 -48.43 74.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.449 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.1 p -69.72 -23.73 63.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -175.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 64' ' ' LEU . 72.6 t -72.81 -46.3 53.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.792 0.329 . . . . 0.0 110.427 176.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.773 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' B' ' 11' ' ' ARG . 43.7 t . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.47 -44.15 95.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.107 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.7 -31.26 72.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.037 0.446 . . . . 0.0 110.593 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.551 ' O ' HG13 ' B' ' 15' ' ' ILE . 46.8 ttt85 -67.78 -44.83 76.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.183 177.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.605 HG22 HD11 ' A' ' 32' ' ' LEU . 98.4 t -62.64 -42.11 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.141 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.77 -41.68 82.52 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.075 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -64.49 -45.16 88.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.138 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.551 HG13 ' O ' ' B' ' 11' ' ' ARG . 69.6 mt -58.68 -41.87 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.694 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.496 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 67.5 mt -61.81 -40.6 87.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.011 0.434 . . . . 0.0 110.187 176.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -66.29 -38.57 88.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.665 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' B' ' 21' ' ' ASP . 0.8 OUTLIER -60.91 -42.09 97.42 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.039 0.447 . . . . 0.0 110.896 176.419 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 77.0 mt -63.97 -42.99 97.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.189 177.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 98.5 mt -63.84 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.716 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.498 ' HA ' HG12 ' B' ' 24' ' ' VAL . 17.8 t70 -60.25 -48.4 81.92 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.223 175.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 1.063 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 57.9 t -54.79 -43.1 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.427 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.69 -38.63 77.06 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.58 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' B' ' 21' ' ' ASP . 11.1 p -83.14 -32.4 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 1.063 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 55.0 pttt -72.34 -24.05 61.24 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.78 178.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -88.76 -25.48 22.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.162 174.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 60.87 53.19 3.91 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.506 0.67 . . . . 0.0 110.188 -175.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.45 HG11 HD13 ' A' ' 15' ' ' ILE . 32.7 m -84.73 159.59 3.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.297 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 34.2 p -84.97 156.68 60.62 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.879 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.434 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 10.2 Cg_endo -52.77 -40.12 75.27 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.856 2.371 . . . . 0.0 112.382 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.04 -45.29 89.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.753 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.6 tp -66.82 -45.14 79.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.489 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -54.96 -52.07 64.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.026 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.486 HD22 HG13 ' A' ' 41' ' ' VAL . 98.6 mt -61.16 -42.2 98.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.218 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.1 ttp -63.14 -41.1 99.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.01 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.411 ' SG ' ' HB ' ' A' ' 15' ' ' ILE . 93.8 m -72.15 -41.62 66.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.017 177.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.536 ' O ' HG23 ' B' ' 41' ' ' VAL . 90.8 mt -58.17 -47.64 82.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.574 177.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -46.94 93.19 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.603 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -65.07 -28.69 69.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.574 0.226 . . . . 0.0 111.48 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.77 -44.04 70.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 110.085 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 37' ' ' LEU . 79.0 t -58.57 -46.09 90.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.635 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -52.91 -41.81 64.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.766 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -69.89 -38.12 76.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.614 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.4 mm -66.41 -44.81 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.605 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.535 HD13 ' HB ' ' B' ' 57' ' ' VAL . 69.4 mt -64.92 -28.03 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.64 -12.18 60.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.288 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -100.7 -4.55 28.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.27 0.557 . . . . 0.0 109.903 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -86.5 138.83 33.7 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.702 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -41.1 128.93 3.03 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.557 2.838 . . . . 0.0 112.85 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.564 ' HA ' ' HB2' ' B' ' 53' ' ' ARG . 31.8 tt0 -62.41 -27.31 69.0 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -170.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.9 t -61.01 -30.21 70.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.663 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.444 ' O ' HG13 ' B' ' 56' ' ' VAL . 16.9 ptpt -114.85 5.63 15.21 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.907 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.564 ' HB2' ' HA ' ' B' ' 50' ' ' GLU . 42.9 ttm180 -65.82 -42.71 90.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.673 0.273 . . . . 0.0 111.42 -174.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.6 -31.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.6 0.714 . . . . 0.0 109.371 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -45.58 66.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.662 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.444 HG13 ' O ' ' B' ' 52' ' ' LYS . 28.5 m -65.87 -34.08 67.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.569 HG22 ' HG2' ' A' ' 65' ' ' LYS . 8.2 p -73.76 -38.13 50.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.434 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.494 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 20.9 t70 -67.81 -46.23 72.49 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -67.04 -29.86 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.829 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.447 ' HE1' ' O ' ' A' ' 34' ' ' LEU . 65.6 t80 -62.83 -51.75 65.82 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 173.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.948 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 61.4 p -65.86 -34.28 77.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -58.28 -56.14 25.9 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.09 171.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.84 83.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.351 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.415 ' O ' HG23 ' B' ' 68' ' ' VAL . 15.5 mt -53.67 -62.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.374 0.421 . . . . 0.0 111.273 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.524 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 56.5 mtmt -63.08 -30.05 71.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -71.56 -44.76 63.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.502 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -72.33 -36.82 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.51 HG22 HG23 ' A' ' 42' ' ' THR . 79.2 t . . . . . 0 C--O 1.233 0.187 0 CA-C-N 116.715 -0.221 . . . . 0.0 111.448 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -59.3 -32.45 70.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.181 -174.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.86 -45.83 91.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.707 0.289 . . . . 0.0 110.378 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 15' ' ' ILE . 20.8 ttt180 -67.65 -42.23 82.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.571 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 16' ' ' ILE . 86.2 t -58.36 -50.18 79.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.66 -25.07 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.979 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -62.26 -50.27 72.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.026 0.441 . . . . 0.0 110.022 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 11' ' ' ARG . 57.4 mt -61.84 -44.23 98.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.328 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 12' ' ' VAL . 79.6 mt -57.91 -48.04 84.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.798 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -65.25 -38.33 90.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.297 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -66.84 -37.15 83.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.006 0.432 . . . . 0.0 110.161 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.507 HD13 HD23 ' B' ' 37' ' ' LEU . 84.8 mt -66.54 -46.97 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.385 175.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.62 -33.81 75.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.568 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 8.9 t70 -62.85 -41.7 99.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.012 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.12 -43.65 93.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.774 0.321 . . . . 0.0 110.232 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.13 -46.68 89.57 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.66 -35.97 63.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 110.597 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 33.1 ttmt -58.96 -38.4 79.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.855 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HB2' HG13 ' A' ' 28' ' ' VAL . 45.9 mm-40 -93.31 -6.82 46.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.109 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 55.21 48.79 18.65 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.13 0.49 . . . . 0.0 110.87 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.439 HG13 ' HB2' ' A' ' 26' ' ' GLU . 25.9 m -73.73 152.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.514 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 p -81.72 157.74 69.08 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.5 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.581 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 10.1 Cg_endo -53.66 -42.01 69.41 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.317 2.011 . . . . 0.0 111.105 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -57.5 -51.75 68.17 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.633 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.521 HD11 HG22 ' B' ' 12' ' ' VAL . 57.3 tp -65.72 -42.62 90.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.855 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.55 96.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.182 -178.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.9 mt -62.25 -41.19 98.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.703 0.287 . . . . 0.0 110.676 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.456 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 43.5 ttp -67.56 -28.99 68.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.101 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.497 ' HA ' HG12 ' B' ' 16' ' ' ILE . 65.8 m -82.43 -50.21 9.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.795 0.331 . . . . 0.0 110.782 178.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.2 mt -61.0 -49.71 76.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -178.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.61 -35.91 91.85 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.358 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 35' ' ' MET . 15.7 t-20 -66.39 -40.26 89.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.218 0.532 . . . . 0.0 109.797 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.66 82.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.706 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.587 HG22 HD13 ' B' ' 37' ' ' LEU . 60.5 t -59.33 -42.32 87.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.451 178.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -56.25 -43.93 79.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.188 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 44.1 t30 -60.18 -43.42 95.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.683 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -65.48 -48.45 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.29 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.526 HG21 ' HB ' ' A' ' 57' ' ' VAL . 47.0 mt -71.32 -28.18 31.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.801 0.334 . . . . 0.0 111.192 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.24 -15.67 63.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 69.2 mt-30 -91.71 -1.28 57.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.042 0.448 . . . . 0.0 110.631 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.542 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 45.4 t -90.35 137.89 27.35 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.269 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.99 145.21 94.21 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 122.152 1.901 . . . . 0.0 111.983 174.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.464 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 3.3 tp10 -55.86 -26.34 46.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.169 -173.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -53.13 -30.96 39.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.736 0.303 . . . . 0.0 111.815 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -135.48 -0.06 2.7 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.362 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.542 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 44.9 ttp180 -68.21 -52.56 32.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.055 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 58.3 t -61.6 -31.67 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.179 0.514 . . . . 0.0 110.024 176.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.18 -53.53 29.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.601 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.09 -36.72 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.526 ' HB ' HG21 ' A' ' 45' ' ' ILE . 11.4 p -72.41 -26.94 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.513 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 4.2 t70 -74.59 -46.23 39.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.063 0.459 . . . . 0.0 109.891 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -62.73 -40.21 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.33 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -56.24 -52.36 64.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.533 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.494 HG22 HG22 ' B' ' 61' ' ' THR . 10.8 p -69.01 -37.13 78.51 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.413 -176.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -61.92 -50.19 73.14 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.918 0.389 . . . . 0.0 110.545 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.27 80.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.185 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.6 mt -58.39 -55.89 29.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -57.81 -41.24 81.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.191 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -68.25 -45.51 73.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.259 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.0 t -67.74 -36.72 81.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.833 -0.167 . . . . 0.0 111.003 -176.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.93 -49.99 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.703 0.287 . . . . 0.0 111.333 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.464 -177.387 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.421 ' O ' HG23 ' B' ' 12' ' ' VAL . 21.3 m . . . . . 0 C--O 1.234 0.274 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -52.69 -49.16 65.86 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.515 0.509 . . . . 0.0 112.037 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.57 -50.13 68.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.535 ' O ' HG13 ' B' ' 15' ' ' ILE . 35.8 ttt85 -64.97 -50.63 65.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.965 -177.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.521 HG22 HD11 ' A' ' 32' ' ' LEU . 89.7 t -60.19 -50.26 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.337 -177.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.21 -24.22 61.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.981 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -75.77 -33.3 60.19 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.786 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.549 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 87.0 mt -60.92 -47.31 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.497 HG12 ' HA ' ' A' ' 36' ' ' CYS . 55.8 mt -59.6 -44.9 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.385 175.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -58.49 -52.93 63.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.934 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.424 ' O ' HG23 ' B' ' 22' ' ' VAL . 24.9 t70 -60.85 -36.11 78.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.579 0.228 . . . . 0.0 111.33 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 96.0 mt -62.04 -44.14 97.32 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 110.148 174.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.452 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.38 -28.99 69.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.994 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 84.9 t -69.77 -39.45 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.4 0.619 . . . . 0.0 109.785 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.17 -37.58 85.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.8 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 84.5 t -78.38 -30.01 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.075 0.464 . . . . 0.0 110.747 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 72.2 tttt -52.35 -46.52 66.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.666 175.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -95.32 -8.72 35.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.247 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 46.6 65.28 1.25 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.646 0.736 . . . . 0.0 110.326 -170.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 33.2 m -69.32 153.19 8.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.673 -1.149 . . . . 0.0 112.444 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.652 HG22 ' HD2' ' B' ' 30' ' ' PRO . 0.2 OUTLIER -89.3 146.61 36.44 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 114.288 -1.324 . . . . 0.0 109.119 177.468 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.652 ' HD2' HG22 ' B' ' 29' ' ' THR . 48.2 Cg_exo -40.03 -51.36 3.15 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.376 2.718 . . . . 0.0 114.574 -178.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.84 -35.48 77.0 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.936 0.398 . . . . 0.0 110.76 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.41 -44.99 77.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.373 176.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.08 -52.77 64.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.114 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.03 -31.11 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.98 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 36.7 ttp -69.49 -49.51 54.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.733 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.71 -47.5 72.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.236 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.587 HD13 HG22 ' A' ' 41' ' ' VAL . 88.1 mt -61.42 -42.71 99.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.12 -42.73 97.23 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.663 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -72.12 -34.31 68.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.655 0.264 . . . . 0.0 110.777 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.13 84.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 37' ' ' LEU . 60.4 t -59.89 -51.94 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.665 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 56.9 m -55.96 -35.79 67.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.527 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.39 -39.78 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.787 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.7 tt -83.96 -22.05 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.892 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.426 HG13 ' O ' ' B' ' 41' ' ' VAL . 61.2 mt -72.65 -27.71 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.213 0.53 . . . . 0.0 109.935 175.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.39 -18.14 64.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.75 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -81.94 -10.64 59.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.296 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.2 t -92.98 130.99 34.38 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.926 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 146.92 26.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.872 2.381 . . . . 0.0 112.439 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -58.45 -25.56 62.37 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.971 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.4 m -52.4 -41.76 63.46 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.402 0.438 . . . . 0.0 111.787 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -123.26 7.69 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.674 0.273 . . . . 0.0 111.397 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -65.66 -36.38 83.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.88 0.371 . . . . 0.0 110.473 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.82 -32.9 42.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.207 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.4 -47.18 62.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.251 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 m -64.91 -38.62 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 8.6 p -73.51 -33.54 39.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.794 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -66.67 -50.44 62.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.933 0.397 . . . . 0.0 109.972 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -62.91 -32.65 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.426 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.53 -55.87 28.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.765 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.528 ' O ' ' HB2' ' B' ' 65' ' ' LYS . 22.9 p -64.47 -33.65 76.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.377 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -66.53 -56.51 10.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.051 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.84 91.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.667 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.403 ' O ' HG23 ' B' ' 68' ' ' VAL . 6.2 tt -64.39 -45.46 87.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.92 0.39 . . . . 0.0 110.032 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' B' ' 61' ' ' THR . 1.7 tttm -59.59 -45.97 90.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.378 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -65.88 -39.29 90.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.347 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 6.3 t -70.31 -35.89 73.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.018 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 64' ' ' LEU . 78.2 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.647 0.261 . . . . 0.0 110.367 176.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.5 p . . . . . 0 C--O 1.237 0.444 0 CA-C-O 120.616 0.246 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -62.73 -31.92 72.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.609 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -61.25 -45.24 95.33 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.872 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.619 ' O ' HG13 ' A' ' 15' ' ' ILE . 50.9 ttt85 -61.98 -46.09 90.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.856 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -55.28 -49.62 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.095 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -61.43 -38.6 87.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.212 0.53 . . . . 0.0 110.98 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HA ' ' HB3' ' A' ' 17' ' ' GLN . 42.5 mttp -81.48 -19.78 41.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.88 -175.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 11' ' ' ARG . 93.4 mt -66.77 -47.57 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 169.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.461 HG23 ' HB2' ' B' ' 40' ' ' ALA . 64.1 mt -61.15 -45.7 98.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.096 176.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.546 ' HB3' ' HA ' ' A' ' 14' ' ' LYS . 42.7 tp60 -59.77 -47.22 86.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.361 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -60.21 -43.41 96.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 109.951 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.73 -48.08 82.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.654 176.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.71 -37.39 86.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.195 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.63 -40.62 97.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.345 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.27 -45.57 95.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.15 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.478 HD11 HD21 ' A' ' 37' ' ' LEU . 97.5 mt -60.3 -42.43 95.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.279 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -75.52 -32.77 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -56.94 -43.24 81.29 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 174.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.49 ' HG3' HG12 ' B' ' 15' ' ' ILE . 66.5 mm-40 -82.02 -12.76 58.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.073 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 55.82 50.28 14.4 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.099 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.495 ' HA ' HD23 ' A' ' 32' ' ' LEU . 33.0 m -64.68 142.39 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.984 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 p -79.21 162.09 65.44 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.571 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 83.4 Cg_exo -48.82 -45.24 29.08 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.653 2.235 . . . . 0.0 112.584 178.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -72.96 -37.91 66.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.154 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 28' ' ' VAL . 60.1 tp -65.36 -38.74 90.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.867 0.365 . . . . 0.0 110.045 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.48 85.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.574 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 87.9 mt -58.78 -49.2 78.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.037 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttp -62.46 -39.04 92.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.467 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.462 ' HA ' HG12 ' B' ' 16' ' ' ILE . 61.1 m -76.08 -50.03 15.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.112 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.602 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.7 mt -65.47 -47.28 76.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.206 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.91 -34.09 81.48 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.37 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -68.3 -44.56 75.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.09 77.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.843 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 37' ' ' LEU . 82.3 t -61.79 -47.92 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.399 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.3 t -74.94 -19.24 60.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -173.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -74.03 -34.51 64.14 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 174.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.37 -38.45 69.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.246 0.546 . . . . 0.0 109.955 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.479 HD13 ' HB ' ' A' ' 57' ' ' VAL . 83.3 mt -62.22 -30.97 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.645 177.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.33 -5.49 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.462 . . . . 0.0 111.371 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.57 -24.28 18.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.148 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.538 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 27.5 m -91.56 162.51 31.38 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.475 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 48' ' ' VAL . 27.6 Cg_endo -62.79 148.08 93.87 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.583 2.189 . . . . 0.0 112.133 175.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.567 ' OE1' ' HD2' ' A' ' 53' ' ' ARG . 2.4 mm-40 -59.84 -23.77 63.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.025 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.0 t -48.72 -39.56 25.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.32 176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -118.91 3.92 11.5 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.567 ' HD2' ' OE1' ' A' ' 50' ' ' GLU . 96.3 mtt180 -60.45 -49.77 76.26 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.597 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.62 -28.57 40.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.146 0.498 . . . . 0.0 110.424 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.33 -48.25 43.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.1 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.694 ' HB ' HD11 ' B' ' 34' ' ' LEU . 28.7 m -64.14 -35.51 74.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.479 ' HB ' HD13 ' A' ' 45' ' ' ILE . 9.4 p -73.74 -36.77 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.771 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' HA ' ' HE2' ' B' ' 65' ' ' LYS . 17.9 t70 -68.8 -39.07 80.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.089 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -72.37 -32.46 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -61.09 -53.65 54.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.337 0.589 . . . . 0.0 109.717 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.3 p -65.25 -37.73 88.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -58.14 -49.61 76.37 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.519 175.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.92 71.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.386 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.51 -61.21 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.056 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -64.2 -32.16 73.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.496 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -60.7 -38.62 85.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.163 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.1 m -88.19 -40.97 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.187 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.23 -48.89 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.313 . . . . 0.0 111.264 -175.872 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 120.686 0.279 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.37 -46.23 86.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.405 -176.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -60.23 -44.84 94.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.959 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.543 ' O ' HG13 ' B' ' 15' ' ' ILE . 55.3 ttt180 -63.88 -49.89 70.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.08 -46.73 95.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.77 -40.33 92.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.584 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -63.12 -43.8 97.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.056 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.543 HG13 ' O ' ' B' ' 11' ' ' ARG . 88.6 mt -57.74 -47.89 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.332 . . . . 0.0 110.489 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.462 HG12 ' HA ' ' A' ' 36' ' ' CYS . 63.2 mt -62.55 -46.66 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -64.92 -41.86 95.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.953 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.469 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -58.47 -43.4 88.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.412 178.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 91.6 mt -63.81 -42.97 97.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.645 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.15 -39.01 88.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -68.03 -36.5 80.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 18' ' ' ASP . 76.8 t -61.07 -42.77 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.099 0.476 . . . . 0.0 110.358 174.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 19' ' ' LEU . 91.3 mt -59.93 -42.76 94.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.709 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.0 t -68.48 -40.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.174 0.511 . . . . 0.0 110.234 176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -54.96 -43.43 73.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.422 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.513 ' HG3' HG12 ' A' ' 15' ' ' ILE . 12.0 mm-40 -86.28 -6.0 59.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.203 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 57.32 39.85 28.12 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.607 0.567 . . . . 0.0 111.123 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.558 HG12 HD13 ' A' ' 15' ' ' ILE . 32.1 m -62.75 131.68 28.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.087 0.47 . . . . 0.0 111.234 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.4 p -74.0 150.9 88.29 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.535 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 84.0 Cg_exo -46.52 -51.66 8.56 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.951 2.434 . . . . 0.0 113.322 -177.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.64 -38.46 91.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' B' ' 28' ' ' VAL . 44.1 tp -63.06 -44.5 95.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.462 175.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.96 78.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.614 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.694 HD11 ' HB ' ' A' ' 56' ' ' VAL . 84.3 mt -60.71 -44.76 96.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.444 177.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.45 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 50.4 ttp -64.55 -44.66 90.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 71.4 m -67.89 -52.51 35.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.305 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.584 ' O ' HG23 ' B' ' 41' ' ' VAL . 99.2 mt -63.1 -48.19 79.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.868 -178.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.21 97.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.488 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' B' ' 35' ' ' MET . 22.4 t-20 -66.6 -41.32 88.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.461 ' HB2' HG23 ' A' ' 16' ' ' ILE . . . -60.53 -47.37 86.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.569 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 37' ' ' LEU . 59.2 t -59.71 -43.3 91.15 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 CA-C-O 120.987 0.422 . . . . 0.0 110.398 177.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -58.12 -40.87 82.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.684 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -72.88 -12.98 61.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.921 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 40' ' ' ALA . 71.2 mt -94.9 -43.24 12.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.383 177.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.493 HG22 ' HG3' ' B' ' 53' ' ' ARG . 57.6 mt -69.11 -23.55 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.325 0.584 . . . . 0.0 110.711 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.56 -12.96 61.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.14 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -81.91 -35.94 28.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.01 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.487 HG22 ' O ' ' B' ' 45' ' ' ILE . 33.2 m -74.52 150.46 86.91 Favored Pre-proline 0 C--O 1.235 0.32 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.42 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.34 151.77 65.58 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.905 2.403 . . . . 0.0 112.024 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.457 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 24.1 mt-10 -66.96 -9.17 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.524 -175.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -70.32 -28.6 65.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.851 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.407 ' O ' HG23 ' B' ' 56' ' ' VAL . 18.8 ptpt -122.5 -4.21 8.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.289 . . . . 0.0 111.128 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.493 ' HG3' HG22 ' B' ' 45' ' ' ILE . 43.4 ttm180 -60.99 -40.13 92.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.473 -174.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.6 -39.59 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.059 0.457 . . . . 0.0 110.332 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.96 78.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.031 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.419 HG13 HD11 ' A' ' 34' ' ' LEU . 59.8 t -59.83 -50.01 81.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.708 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.17 -34.9 71.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.772 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.58 -44.83 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.666 0.269 . . . . 0.0 110.578 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.43 -42.32 82.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.125 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.16 -50.79 68.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.45 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -63.55 -39.43 94.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.745 -178.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -64.44 -46.73 81.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.334 . . . . 0.0 110.615 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.48 77.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.074 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 68' ' ' VAL . 58.9 mt -61.78 -57.29 12.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.428 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.425 ' HE2' ' HA ' ' A' ' 58' ' ' ASP . 93.4 mttt -61.27 -41.95 97.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.613 0.244 . . . . 0.0 111.074 -176.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -60.75 -36.08 78.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.104 0.478 . . . . 0.0 110.598 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 30.8 t -76.99 -25.48 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.259 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 64' ' ' LEU . 95.4 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 120.747 0.308 . . . . 0.0 110.715 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -53.63 -34.48 58.72 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.379 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -59.85 -55.23 36.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.572 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 15' ' ' ILE . 78.5 ttt180 -58.61 -46.11 87.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.882 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 16' ' ' ILE . 92.6 t -55.03 -53.1 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.486 -178.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -79.17 -16.09 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.765 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -64.77 -48.22 75.3 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 171.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 11' ' ' ARG . 61.8 mt -59.49 -48.99 85.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.225 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.432 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 69.1 mt -55.75 -49.79 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.977 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -64.61 -40.86 96.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.78 -37.47 86.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.015 0.436 . . . . 0.0 110.334 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.48 -45.96 81.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.689 174.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 93.9 mt -61.7 -34.3 75.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.891 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.436 ' HA ' HG12 ' A' ' 24' ' ' VAL . 23.3 t70 -64.53 -43.31 94.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.201 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.1 t -59.31 -42.89 88.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.045 0.45 . . . . 0.0 110.047 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.404 HD12 HD23 ' A' ' 20' ' ' LEU . 96.7 mt -62.45 -44.99 95.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.631 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' A' ' 21' ' ' ASP . 11.3 p -75.37 -31.06 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.606 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -65.25 -39.82 93.18 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.753 175.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -77.5 -10.77 59.67 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.654 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 60.31 42.85 14.38 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.3 m -75.12 134.8 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-O 122.053 0.93 . . . . 0.0 111.81 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.592 HG22 ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -76.31 143.15 72.51 Favored Pre-proline 0 N--CA 1.436 -1.149 0 CA-C-N 114.016 -1.447 . . . . 0.0 109.358 176.667 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.592 ' HD2' HG22 ' A' ' 29' ' ' THR . 53.5 Cg_exo -41.2 -48.7 4.97 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.44 2.76 . . . . 0.0 114.044 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.49 -49.79 76.15 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.386 0.612 . . . . 0.0 110.446 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.1 tp -59.78 -43.05 94.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.75 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.86 85.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.94 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 95.9 mt -60.47 -46.29 90.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 0.0 110.372 177.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.473 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 50.2 ttp -63.82 -36.12 82.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.003 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.5 m -75.26 -50.5 15.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.1 mt -62.46 -50.62 70.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.384 -177.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.02 -35.69 88.04 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.258 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.473 ' HB2' ' O ' ' A' ' 35' ' ' MET . 14.8 t-20 -67.94 -41.76 82.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.239 0.542 . . . . 0.0 109.763 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -64.13 -43.35 95.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.714 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.5 t -57.57 -41.7 79.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.307 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.486 HG23 HG22 ' B' ' 68' ' ' VAL . 89.3 m -55.29 -43.72 75.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.302 178.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -72.86 -31.22 64.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 40' ' ' ALA . 45.6 mm -69.41 -42.57 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 0.0 110.355 176.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.421 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 72.4 mt -67.01 -25.62 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.158 0.504 . . . . 0.0 110.116 177.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.86 -17.04 64.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.897 0.379 . . . . 0.0 110.967 178.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -89.55 -4.66 57.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.355 0.598 . . . . 0.0 110.169 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 t -92.39 137.02 24.83 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.89 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -64.0 144.73 88.53 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.185 1.923 . . . . 0.0 111.903 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -52.06 -32.61 35.36 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.181 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -54.86 -35.46 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.157 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -122.0 3.2 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 111.137 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 45' ' ' ILE . 18.5 ttp180 -68.41 -37.29 80.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.672 -174.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.86 -38.98 44.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.394 0.616 . . . . 0.0 110.216 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.56 97.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.501 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.8 m -68.03 -39.02 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -177.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -70.8 -32.04 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.306 -177.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.39 -49.23 44.06 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 110.415 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -63.0 -38.19 90.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -53.83 -53.59 50.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.427 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.568 HG22 HG22 ' B' ' 61' ' ' THR . 14.1 p -74.76 -41.84 59.34 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.954 -174.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -57.98 -49.41 76.92 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 120.996 0.427 . . . . 0.0 111.128 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.99 68.63 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.381 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.22 -53.11 61.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.503 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.481 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 43.5 mtpt -58.55 -44.66 89.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.974 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -59.78 -46.86 87.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.257 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.9 m -67.34 -40.93 85.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.388 -176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.55 -35.88 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.812 0.339 . . . . 0.0 110.94 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.383 -179.661 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.447 -0.594 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.428 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 27.0 p-10 -61.65 -25.44 67.37 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.46 -43.62 84.15 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.619 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.469 ' O ' HG13 ' B' ' 15' ' ' ILE . 54.6 ttt85 -78.89 -35.65 43.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 -177.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.417 ' O ' HG13 ' B' ' 16' ' ' ILE . 91.7 t -60.55 -50.64 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.461 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 9' ' ' ASN . 53.2 mm-40 -63.4 -34.08 76.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.897 0.379 . . . . 0.0 110.274 176.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -61.06 -53.68 54.16 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.192 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.469 HG13 ' O ' ' B' ' 11' ' ' ARG . 75.2 mt -58.24 -40.7 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.512 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 12' ' ' VAL . 74.9 mt -60.48 -43.41 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.114 175.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -64.08 -42.9 96.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.839 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.61 -42.61 93.02 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.477 HD13 HD23 ' A' ' 37' ' ' LEU . 96.9 mt -65.29 -47.25 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.773 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 91.0 mt -62.51 -35.32 79.03 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.492 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -58.1 -47.86 81.95 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.55 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.23 -45.4 93.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 O-C-N 123.216 0.323 . . . . 0.0 110.883 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.41 -39.88 92.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.439 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 91.0 t -75.63 -38.04 37.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.964 0.411 . . . . 0.0 110.63 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -57.96 -41.3 82.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.925 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -80.67 -16.95 52.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.576 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 50.39 67.06 0.98 Allowed 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.117 -170.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 32.3 m -85.31 155.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.627 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 23.6 p -84.18 159.43 59.49 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.406 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 75.7 Cg_exo -50.25 -50.34 13.76 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.719 2.279 . . . . 0.0 112.622 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.43 -43.69 93.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.78 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 tp -61.86 -44.07 97.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.644 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.57 81.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 90.9 mt -60.88 -42.67 98.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 57.8 ttp -62.0 -41.89 98.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 62.5 m -69.15 -47.66 64.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 41' ' ' VAL . 99.0 mt -60.37 -41.39 93.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.248 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.26 -44.38 93.36 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.64 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -69.97 -34.83 73.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.803 0.335 . . . . 0.0 110.733 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.16 92.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.509 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 37' ' ' LEU . 64.0 t -61.57 -37.44 77.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.324 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.5 m -57.34 -41.48 80.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.772 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.14 -39.44 82.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.887 0.375 . . . . 0.0 110.513 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.7 mm -61.61 -47.87 91.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.386 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 41' ' ' VAL . 36.8 mt -71.22 -20.04 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.152 0.501 . . . . 0.0 110.361 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.654 ' HA ' ' NH1' ' B' ' 53' ' ' ARG . . . -75.13 -10.44 59.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 176.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -88.81 -6.95 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.578 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' B' ' 52' ' ' LYS . 20.7 t -102.53 129.19 26.5 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.816 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.48 142.64 85.61 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.417 2.078 . . . . 0.0 112.01 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.516 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 6.1 mp0 -45.38 -31.37 1.63 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.344 0.658 . . . . 0.0 112.589 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 15.2 m -46.44 -41.08 13.32 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 123.637 0.586 . . . . 0.0 111.735 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.452 ' HG3' ' CG1' ' B' ' 48' ' ' VAL . 20.2 ptmt -125.93 3.26 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.881 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.654 ' NH1' ' HA ' ' B' ' 46' ' ' ALA . 21.5 ttm-85 -62.36 -47.01 86.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -176.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 37.5 t -65.87 -35.17 74.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.206 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.41 -51.13 60.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.04 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.75 -35.57 75.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 p -71.4 -31.37 43.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 120.92 0.391 . . . . 0.0 110.645 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.69 -45.71 35.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -60.85 -41.35 95.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.66 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -56.01 -54.92 39.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.374 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.568 HG22 HG22 ' A' ' 61' ' ' THR . 18.9 p -70.0 -34.1 72.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.364 -176.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.69 -58.7 7.42 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.03 0.443 . . . . 0.0 110.657 173.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.525 -177.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 tt -58.83 -49.45 77.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.941 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.492 ' HG3' HG21 ' A' ' 61' ' ' THR . 8.5 mtmp? -62.36 -43.0 99.84 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.522 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.944 ' HA ' HE21 ' B' ' 66' ' ' GLN . 0.0 OUTLIER -75.21 -30.93 60.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -176.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 17.5 p -72.76 -46.58 52.69 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.669 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.486 HG22 HG23 ' A' ' 42' ' ' THR . 94.4 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.636 -0.257 . . . . 0.0 111.518 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 12' ' ' VAL . 22.3 p . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.12 -30.47 71.62 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.081 0.238 . . . . 0.0 110.778 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.23 -43.0 99.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.471 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.533 ' O ' HG13 ' A' ' 15' ' ' ILE . 79.9 ttt180 -70.0 -33.88 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.167 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 16' ' ' ILE . 61.1 t -61.63 -50.18 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.923 175.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.28 -39.71 70.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.836 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.24 -49.05 79.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.34 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 11' ' ' ARG . 56.1 mt -63.93 -43.3 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.365 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 12' ' ' VAL . 68.8 mt -60.93 -39.8 83.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.208 177.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.6 -41.86 92.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.751 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.09 -37.57 84.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.424 . . . . 0.0 110.283 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.7 -51.51 64.7 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.763 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 23' ' ' LEU . 91.9 mt -64.59 -27.49 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.828 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -46.97 85.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.923 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.3 t -60.24 -45.25 96.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.022 0.439 . . . . 0.0 110.723 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.542 HD12 HD23 ' A' ' 20' ' ' LEU . 97.7 mt -60.65 -42.03 96.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.65 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t -80.58 -32.34 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -54.33 -47.28 72.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.4 0.619 . . . . 0.0 110.138 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HB2' HG13 ' A' ' 28' ' ' VAL . 57.5 mm-40 -88.45 -5.43 58.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.142 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 37.55 58.43 1.33 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 124.309 1.006 . . . . 0.0 111.397 -174.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.3 m -73.41 162.25 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.748 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.2 p -86.81 159.77 51.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.294 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.38 -48.48 18.6 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.864 2.376 . . . . 0.0 112.538 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -56.51 -50.72 71.0 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.627 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.89 -46.36 88.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.872 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.74 -53.34 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.102 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.5 mt -60.83 -43.54 98.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.458 -176.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.4 ttp -64.65 -40.29 95.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.647 0.261 . . . . 0.0 111.086 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -68.69 -47.34 66.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.765 0.317 . . . . 0.0 110.671 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.0 mt -61.24 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.14 -43.73 93.32 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.847 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -69.12 -36.59 77.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.642 0.258 . . . . 0.0 110.754 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 -46.39 88.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.435 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 37' ' ' LEU . 60.0 t -60.74 -54.14 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.344 177.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.6 m -57.33 -39.23 75.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.708 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -66.74 -36.39 82.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.393 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.9 tt -84.73 -25.73 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.014 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' A' ' 53' ' ' ARG . 57.2 mt -65.55 -33.24 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.373 0.606 . . . . 0.0 109.95 174.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.29 -14.59 61.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.138 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -83.63 -15.67 48.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.417 0.627 . . . . 0.0 109.703 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.1 t -81.1 135.93 50.67 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.379 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -44.41 126.06 6.45 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.886 2.391 . . . . 0.0 112.194 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.524 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 41.9 tt0 -50.99 -34.63 29.91 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.069 -174.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -50.77 -32.52 20.06 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.996 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.02 6.74 9.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.935 0.398 . . . . 0.0 110.554 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.524 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 40.3 ttm180 -67.44 -40.51 85.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.192 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.81 -35.71 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.058 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.19 -51.63 62.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.5 m -63.87 -35.22 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -175.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -75.0 -33.03 28.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.585 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.27 -36.18 68.94 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.603 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -63.5 -46.3 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.419 ' CE2' HG11 ' A' ' 41' ' ' VAL . 52.6 t80 -58.33 -51.49 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.059 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.1 p -65.69 -41.44 92.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.837 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -60.71 -51.42 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.293 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.46 90.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.856 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 68' ' ' VAL . 9.5 mt -49.52 -66.47 0.39 Allowed 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.726 0.641 . . . . 0.0 112.029 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.581 ' HG2' HG22 ' B' ' 57' ' ' VAL . 50.8 mtmt -63.81 -29.03 70.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.497 -174.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -69.19 -39.84 78.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.704 0.288 . . . . 0.0 110.642 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 p -80.93 -10.24 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 111.406 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.542 HG21 HG21 ' B' ' 57' ' ' VAL . 53.4 t -85.93 -41.84 15.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.768 0.318 . . . . 0.0 110.647 176.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 97.9 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.461 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.449 -0.509 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.79 -36.44 76.72 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -175.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.32 -35.98 70.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.755 0.312 . . . . 0.0 110.656 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.478 ' O ' HG13 ' B' ' 15' ' ' ILE . 9.8 ttt-85 -71.07 -41.86 70.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.928 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.3 -46.98 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.007 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -57.72 -40.2 79.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.695 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -64.68 -49.97 68.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.153 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.523 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 76.5 mt -60.11 -44.15 94.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -175.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.415 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 76.4 mt -59.91 -40.95 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.273 176.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -61.91 -46.88 87.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.653 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.447 ' O ' HG23 ' B' ' 22' ' ' VAL . 15.2 m-20 -64.24 -35.85 82.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.077 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.7 mt -64.01 -44.01 93.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 110.375 175.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 97.9 mt -65.21 -33.68 76.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.374 176.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.44 ' HA ' HG12 ' B' ' 24' ' ' VAL . 0.6 OUTLIER -62.06 -38.65 89.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.815 176.014 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.541 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 95.5 t -62.87 -41.4 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 0.0 110.541 177.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.472 HD22 HG21 ' B' ' 28' ' ' VAL . 84.5 mt -65.52 -35.36 80.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.92 -178.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' B' ' 21' ' ' ASP . 9.7 p -85.01 -19.0 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 120.917 0.389 . . . . 0.0 110.808 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.541 ' HD3' ' HA ' ' B' ' 22' ' ' VAL . 9.9 mtpm? -62.27 -35.87 80.32 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.192 0.52 . . . . 0.0 110.046 172.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.519 ' HG3' HG12 ' A' ' 15' ' ' ILE . 46.5 mm-40 -102.99 -14.52 16.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.66 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 55.2 49.05 18.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.415 0.626 . . . . 0.0 109.899 -173.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.472 HG21 HD22 ' B' ' 23' ' ' LEU . 34.0 m -61.23 148.3 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.161 -175.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 40.3 p -80.77 165.17 47.3 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.442 173.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.438 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 74.9 Cg_exo -50.44 -45.11 36.08 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.287 1.991 . . . . 0.0 111.61 174.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.09 -55.91 24.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.103 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 tp -58.53 -36.03 73.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.131 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.07 -51.69 62.85 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.895 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 85.8 mt -62.07 -42.83 99.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.161 -177.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 32.9 ttp -63.87 -31.83 73.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.546 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 67.8 m -85.0 -49.14 8.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.739 0.304 . . . . 0.0 111.0 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.2 mt -60.67 -54.31 46.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.411 -177.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.4 -33.31 84.16 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.592 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -64.78 -44.23 90.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.138 0.494 . . . . 0.0 109.846 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.05 -39.4 86.93 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.699 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 37' ' ' LEU . 89.9 t -59.5 -47.96 88.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.946 177.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.0 m -64.35 -32.7 74.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.726 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -64.88 -35.83 82.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.394 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.4 mm -76.04 -46.2 34.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.678 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.404 HG21 ' HB ' ' B' ' 57' ' ' VAL . 70.1 mt -61.42 -29.8 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.968 0.413 . . . . 0.0 111.289 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.66 -21.31 65.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.185 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -89.58 -8.63 52.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 0.0 110.392 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.417 HG12 ' HG3' ' B' ' 52' ' ' LYS . 47.8 t -83.64 133.64 46.28 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.371 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -41.91 129.7 4.17 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.29 2.66 . . . . 0.0 112.603 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -49.59 -39.83 36.74 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -170.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 56.2 m -57.75 -52.89 63.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 111.544 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.417 ' HG3' HG12 ' B' ' 48' ' ' VAL . 6.0 ptpp? -87.2 -9.93 53.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.062 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.99 -45.09 91.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.985 0.421 . . . . 0.0 110.655 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.8 t -67.21 -34.3 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.188 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.79 -48.53 45.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.503 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.6 m -65.73 -34.39 70.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -176.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.581 HG22 ' HG2' ' A' ' 65' ' ' LYS . 13.3 p -73.02 -35.07 47.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.524 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.53 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 32.6 t70 -67.33 -44.37 79.27 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -61.93 -36.97 82.95 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.319 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -61.14 -53.48 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.081 177.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 41.2 p -64.66 -35.06 79.8 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.129 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.2 -56.25 23.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.412 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.25 81.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.99 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.487 ' O ' HG23 ' B' ' 68' ' ' VAL . 13.6 mt -53.13 -63.04 1.28 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.408 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -65.6 -30.22 70.92 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.521 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.87 -48.89 77.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.821 0.343 . . . . 0.0 110.961 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.1 p -75.63 -26.96 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.66 -176.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 64' ' ' LEU . 59.2 t . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.709 0.29 . . . . 0.0 110.78 176.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.6 t . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.51 -49.97 74.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.99 -33.22 72.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.912 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.551 ' O ' HG13 ' A' ' 15' ' ' ILE . 60.1 ttt85 -67.1 -45.2 77.94 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 8' ' ' SER . 80.1 t -55.38 -45.63 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.014 0.435 . . . . 0.0 110.489 178.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.89 -40.74 85.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.942 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' A' ' 17' ' ' GLN . 55.9 mttp -79.32 -22.63 44.26 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 11' ' ' ARG . 81.8 mt -65.65 -46.4 89.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.49 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 67.6 mt -61.51 -42.69 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.894 175.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.508 ' HB3' ' HA ' ' A' ' 14' ' ' LYS . 54.3 tp60 -59.39 -48.65 80.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.138 177.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.91 -37.11 70.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.024 0.44 . . . . 0.0 110.555 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 97.7 mt -65.84 -42.57 90.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.609 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.5 mt -64.81 -37.7 88.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.746 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.91 -41.77 83.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.555 175.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.78 -44.41 93.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.095 0.474 . . . . 0.0 110.572 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 95.7 mt -61.59 -37.36 83.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.66 -178.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.79 -30.42 16.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.787 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -65.37 -38.66 90.72 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.992 0.425 . . . . 0.0 110.721 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.536 ' HA ' HH21 ' B' ' 11' ' ' ARG . 78.8 mm-40 -83.15 -14.94 52.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.153 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 56.78 48.84 15.39 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.234 0.54 . . . . 0.0 110.848 -177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.767 ' HA ' HD23 ' A' ' 32' ' ' LEU . 34.6 m -70.77 140.9 17.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.894 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.538 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 9.5 p -92.01 168.44 13.0 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.737 173.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 93.5 Cg_exo -45.26 -58.31 1.67 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.948 2.432 . . . . 0.0 113.462 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.69 -40.32 94.57 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 111.216 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.767 HD23 ' HA ' ' A' ' 28' ' ' VAL . 58.6 tp -65.17 -47.1 78.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.378 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.92 -49.46 77.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.139 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.04 -37.81 83.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.3 ttp -65.55 -45.75 82.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HA ' HG12 ' B' ' 16' ' ' ILE . 72.2 m -70.41 -45.46 65.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.181 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.557 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.8 mt -62.22 -44.06 97.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.697 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.59 -45.04 90.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.211 -0.519 . . . . 0.0 112.373 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -66.76 -36.29 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.998 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.62 84.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.683 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 37' ' ' LEU . 62.8 t -61.35 -40.92 87.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.595 178.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.2 m -55.32 -46.99 76.31 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 40.9 t30 -60.01 -43.22 95.38 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.719 0.295 . . . . 0.0 110.919 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -65.93 -47.84 83.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.092 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.534 HD13 ' HB ' ' A' ' 57' ' ' VAL . 58.6 mt -67.8 -30.16 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.823 0.344 . . . . 0.0 111.263 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.05 -23.71 67.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.969 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 72.7 mt-30 -82.03 -10.45 59.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.466 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 41.1 t -79.29 136.71 56.57 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.896 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.07 148.2 93.51 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.531 2.154 . . . . 0.0 112.78 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' CD ' HH21 ' A' ' 53' ' ' ARG . 3.4 tp10 -51.16 -33.06 25.35 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.573 -173.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -53.24 -43.3 67.21 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.774 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.57 2.74 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.808 -174.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 37.6 ttp180 -64.9 -34.42 78.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.821 -175.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.32 -30.48 8.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.381 0.61 . . . . 0.0 109.826 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -40.3 74.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.524 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.68 -40.4 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.534 ' HB ' HD13 ' A' ' 45' ' ' ILE . 7.3 p -70.06 -33.83 56.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.621 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -65.68 -47.53 75.14 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -61.77 -38.05 86.57 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.586 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.76 -51.31 70.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.175 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.574 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 51.7 p -65.64 -35.64 81.39 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.249 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -61.6 -50.28 73.22 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.339 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.28 90.49 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.469 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.19 -60.56 3.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.039 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -61.2 -37.21 82.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.105 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -59.78 -48.8 80.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.093 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 m -72.36 -26.91 62.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.439 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -77.68 -46.01 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.433 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 111.386 -177.348 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.412 ' HA ' ' HB ' ' B' ' 12' ' ' VAL . 48.7 m-80 -59.4 -26.74 65.39 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.279 0.362 . . . . 0.0 111.145 -173.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -55.7 -56.19 23.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.966 0.412 . . . . 0.0 110.142 173.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.551 ' O ' HG13 ' B' ' 15' ' ' ILE . 64.8 ttt180 -69.23 -35.09 75.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.592 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.438 ' O ' HG13 ' B' ' 16' ' ' ILE . 78.5 t -55.77 -45.02 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.878 0.371 . . . . 0.0 110.08 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -72.05 -32.6 67.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.613 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -55.58 -45.37 77.39 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.551 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.0 mt -60.2 -47.38 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.345 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.484 HG12 ' HA ' ' A' ' 36' ' ' CYS . 64.5 mt -57.95 -49.28 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 178.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -65.11 -35.88 82.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.968 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -67.22 -42.77 83.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 109.827 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 96.2 mt -62.74 -43.72 98.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.589 176.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.545 HD23 HD12 ' B' ' 23' ' ' LEU . 95.9 mt -64.82 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.253 0.549 . . . . 0.0 110.252 176.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 4.0 t70 -69.2 -36.76 77.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.831 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.555 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 99.5 t -67.16 -38.61 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.255 173.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.545 HD12 HD23 ' B' ' 20' ' ' LEU . 85.7 mt -62.85 -35.76 81.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.006 178.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.74 -22.45 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.483 177.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.555 ' HD3' ' HA ' ' B' ' 22' ' ' VAL . 9.5 mtpm? -55.67 -51.8 66.03 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.979 0.418 . . . . 0.0 110.459 172.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.52 ' HG3' HG12 ' A' ' 15' ' ' ILE . 14.3 mm-40 -89.22 -8.26 53.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.054 -175.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 53.42 68.57 0.82 Allowed 'General case' 0 N--CA 1.463 0.192 0 O-C-N 124.025 0.828 . . . . 0.0 110.923 -172.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.673 ' HA ' HD23 ' B' ' 32' ' ' LEU . 32.4 m -81.8 137.95 20.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.485 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 40.4 p -83.56 168.05 24.67 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 74.2 Cg_exo -49.01 -47.53 21.34 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.256 1.97 . . . . 0.0 112.358 177.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.27 -52.95 63.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.224 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' B' ' 28' ' ' VAL . 59.5 tp -62.0 -41.29 97.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.104 -178.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.7 -51.75 68.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.357 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.72 -39.1 90.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.717 0.294 . . . . 0.0 111.094 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 47.8 ttp -66.12 -32.79 74.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.162 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 69.3 m -82.98 -46.56 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.883 0.373 . . . . 0.0 110.771 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.616 ' O ' HG23 ' B' ' 41' ' ' VAL . 94.0 mt -63.72 -52.81 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.443 -177.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.33 -30.32 73.8 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.074 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' B' ' 35' ' ' MET . 23.0 t-20 -69.31 -46.64 66.64 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.431 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -62.8 -39.99 95.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.824 177.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.616 HG23 ' O ' ' B' ' 37' ' ' LEU . 98.0 t -57.63 -49.54 80.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.099 176.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 41.1 m -61.61 -37.63 84.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -63.89 -33.14 75.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.004 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.431 HG12 ' O ' ' B' ' 40' ' ' ALA . 46.9 mm -79.41 -45.34 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.689 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.515 HG22 ' HG3' ' B' ' 53' ' ' ARG . 58.9 mt -63.42 -28.3 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.206 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -13.06 61.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.462 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -93.03 -2.6 55.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.299 0.571 . . . . 0.0 110.158 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -97.49 134.34 22.67 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.758 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.31 136.35 19.4 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.082 2.521 . . . . 0.0 112.282 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.469 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 24.6 mt-10 -58.48 -35.46 72.23 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -169.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 43.3 m -61.36 -26.18 67.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.773 0.32 . . . . 0.0 111.604 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -116.94 -3.97 11.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.945 0.402 . . . . 0.0 110.644 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.515 ' HG3' HG22 ' B' ' 45' ' ' ILE . 42.4 ttm180 -63.79 -42.18 97.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.55 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.46 -31.9 55.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.396 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.58 -46.52 46.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.487 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.46 -36.38 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.413 ' HB ' HD13 ' B' ' 45' ' ' ILE . 8.7 p -71.14 -36.98 64.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.407 178.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.18 -46.75 73.02 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -55.39 -41.11 72.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.623 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -61.64 -51.17 69.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.261 177.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.574 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 56.0 p -64.24 -37.95 89.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.491 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.11 -44.81 75.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.258 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.81 87.99 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.471 ' O ' HG23 ' B' ' 68' ' ' VAL . 40.3 mt -56.68 -54.74 42.66 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.546 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -52.96 -49.04 66.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.999 0.428 . . . . 0.0 111.042 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -61.47 -50.89 70.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.117 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 34.1 p -67.38 -27.97 67.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 64' ' ' LEU . 77.2 t . . . . . 0 C--N 1.327 -0.398 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -62.99 -32.54 73.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.255 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -53.96 -42.54 69.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.096 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.508 ' O ' HG13 ' A' ' 15' ' ' ILE . 72.0 ttt180 -72.97 -40.27 65.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.446 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 16' ' ' ILE . 83.5 t -55.89 -51.16 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.609 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -60.31 -37.68 81.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -65.96 -48.43 71.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.378 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 11' ' ' ARG . 70.8 mt -60.79 -42.23 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.562 0.22 . . . . 0.0 111.046 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.442 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.4 mt -59.9 -46.33 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 110.151 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.31 -40.98 97.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.434 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -39.34 93.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.416 HD13 HD23 ' B' ' 37' ' ' LEU . 95.9 mt -66.41 -42.34 87.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.455 176.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 96.3 mt -63.11 -39.58 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.377 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -63.1 -31.26 72.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.0 -46.88 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.13 -37.14 84.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.3 t -75.38 -34.26 29.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.01 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 25' ' ' LYS . 2.2 tmmt? -63.25 -37.65 88.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.086 0.47 . . . . 0.0 110.029 177.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.509 ' HG3' HG12 ' B' ' 15' ' ' ILE . 70.3 mm-40 -79.29 -26.22 42.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.589 175.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 61.01 60.95 1.71 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.62 0.724 . . . . 0.0 109.607 -172.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.444 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.2 m -83.0 160.44 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.593 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.431 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 56.8 p -90.27 168.75 13.63 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 50.0 Cg_exo -54.05 -42.79 64.01 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.007 1.805 . . . . 0.0 111.2 172.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.76 -51.31 65.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.855 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.532 HD11 HG22 ' B' ' 12' ' ' VAL . 40.9 tp -63.44 -39.16 93.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.783 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.33 -53.11 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.948 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.98 -42.36 94.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.5 ttp -63.31 -42.06 98.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.963 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.6 m -70.52 -46.16 64.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.786 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.557 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.0 mt -61.29 -43.45 98.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.32 -45.2 94.54 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.461 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.427 ' HA ' HG22 ' A' ' 42' ' ' THR . 28.0 m-80 -67.78 -33.15 74.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.685 178.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.57 -42.76 91.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.68 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.0 t -65.24 -47.22 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 39' ' ' ASN . 11.9 t -65.79 -24.72 66.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.228 -176.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -76.89 -19.25 57.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.75 0.309 . . . . 0.0 110.975 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.4 mm -86.96 -43.09 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.239 0.542 . . . . 0.0 109.835 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.588 HG22 ' HG3' ' A' ' 53' ' ' ARG . 47.7 mt -69.72 -19.84 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.739 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.44 -9.49 58.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.739 0.304 . . . . 0.0 111.381 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -84.51 -13.99 50.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.383 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.51 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 27.6 m -100.47 159.95 28.29 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.674 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.51 ' HD2' ' HB ' ' A' ' 48' ' ' VAL . 13.8 Cg_endo -56.7 146.6 76.13 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.963 2.442 . . . . 0.0 112.027 177.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -53.96 -40.5 66.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.231 -173.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.4 m -57.38 -50.36 73.21 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.921 0.391 . . . . 0.0 111.257 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' ' 56' ' ' VAL . 99.2 mttt -74.79 -29.88 61.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.956 0.407 . . . . 0.0 110.349 178.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.588 ' HG3' HG22 ' A' ' 45' ' ' ILE . 39.5 ttm180 -52.59 -48.55 66.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.678 -176.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.68 -43.64 90.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.582 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.27 83.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.987 0.422 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 52' ' ' LYS . 70.0 t -65.66 -49.07 80.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.51 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.0 p -66.87 -34.6 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.152 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -35.77 81.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.178 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -73.52 -39.93 64.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.88 0.372 . . . . 0.0 110.608 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -63.46 -46.79 84.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.405 HG22 HG22 ' B' ' 61' ' ' THR . 20.4 p -64.46 -34.84 79.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.085 -178.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -63.39 -48.37 78.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.325 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.88 75.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.196 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 68' ' ' VAL . 32.4 mt -61.79 -55.43 30.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.296 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -62.53 -36.68 83.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.795 0.331 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -60.6 -47.11 87.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.114 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 p -74.02 -32.62 63.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.558 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 64' ' ' LEU . 73.5 t -69.26 -44.93 80.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.693 0.282 . . . . 0.0 110.954 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.968 0.413 . . . . 0.0 110.625 178.695 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.41 ' O ' HG23 ' B' ' 12' ' ' VAL . 62.3 m . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -55.85 -44.35 77.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.423 -176.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -56.87 -46.95 81.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.468 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.601 ' O ' HG13 ' B' ' 15' ' ' ILE . 40.2 ttt85 -63.76 -49.67 72.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.887 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.532 HG22 HD11 ' A' ' 32' ' ' LEU . 91.0 t -58.86 -50.03 80.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.469 -178.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' B' ' 16' ' ' ILE . 38.3 mt-10 -67.15 -30.89 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.287 -177.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -68.25 -35.37 77.8 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.236 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.601 HG13 ' O ' ' B' ' 11' ' ' ARG . 65.9 mt -62.71 -46.91 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' B' ' 13' ' ' GLU . 53.0 mt -59.32 -47.2 91.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.357 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -62.36 -38.25 88.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.953 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.46 -36.14 71.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 110.211 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 98.3 mt -62.56 -46.34 88.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.886 173.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.475 HD23 HD12 ' B' ' 23' ' ' LEU . 96.4 mt -63.64 -31.66 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.359 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.77 -41.51 99.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.407 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.476 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 57.7 t -66.3 -33.18 61.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.185 0.517 . . . . 0.0 110.309 176.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.475 HD12 HD23 ' B' ' 20' ' ' LEU . 87.6 mt -67.75 -37.87 82.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 62.9 t -74.02 -35.6 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.063 0.459 . . . . 0.0 110.055 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 60.8 tttt -51.08 -45.91 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.86 174.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.46 ' HB2' HG13 ' B' ' 28' ' ' VAL . 46.6 mm-40 -92.08 -9.04 44.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.569 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 55.46 45.66 24.72 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.248 0.547 . . . . 0.0 109.884 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.46 HG13 ' HB2' ' B' ' 26' ' ' GLU . 34.1 m -63.89 151.44 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.185 -173.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.443 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 23.0 p -93.46 167.92 13.02 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.02 172.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 74.5 Cg_exo -50.53 -43.52 44.58 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.233 1.955 . . . . 0.0 112.185 176.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.77 -55.94 27.91 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.317 177.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.7 tp -67.22 -40.27 86.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.159 -174.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.12 -55.99 23.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.135 -177.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.1 -35.19 80.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.173 -176.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttp -63.39 -48.51 77.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -69.95 -40.19 75.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.544 ' O ' HG23 ' B' ' 41' ' ' VAL . 80.8 mt -62.66 -44.59 95.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.675 0.274 . . . . 0.0 110.852 178.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.27 -44.33 96.59 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.66 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.467 ' HA ' HG22 ' B' ' 42' ' ' THR . 29.1 m-80 -66.03 -32.14 73.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.985 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.39 -43.53 77.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.369 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 37' ' ' LEU . 57.3 t -65.15 -46.92 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.467 HG22 ' HA ' ' B' ' 39' ' ' ASN . 12.2 t -67.2 -23.0 65.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.965 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 67.3 t30 -75.26 -39.53 59.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.185 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -69.39 -41.82 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.24 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.547 HG22 ' HG3' ' B' ' 53' ' ' ARG . 67.6 mt -66.48 -22.92 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.48 -1.8 47.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.293 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 77.2 mt-30 -99.65 -15.18 18.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.823 0.345 . . . . 0.0 111.086 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.485 ' HB ' ' HD2' ' B' ' 52' ' ' LYS . 30.1 m -94.95 153.22 39.94 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.528 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.475 ' HG2' ' HG2' ' B' ' 52' ' ' LYS . 9.9 Cg_endo -52.3 142.92 45.18 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.03 2.486 . . . . 0.0 111.915 177.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.507 ' HA ' ' CB ' ' B' ' 53' ' ' ARG . 32.2 mt-10 -63.59 -24.91 68.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.801 -174.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -56.73 -43.87 81.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.433 . . . . 0.0 110.609 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.485 ' HD2' ' HB ' ' B' ' 48' ' ' VAL . 19.4 ptpt -96.78 -15.86 21.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.561 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.547 ' HG3' HG22 ' B' ' 45' ' ' ILE . 42.1 ttm180 -57.86 -42.58 84.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.49 -175.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.95 -34.62 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.156 0.503 . . . . 0.0 110.34 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.33 -42.84 58.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.743 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.04 -35.65 75.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -176.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.542 ' HB ' HD13 ' B' ' 45' ' ' ILE . 7.1 p -76.62 -33.82 22.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.319 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' B' ' 62' ' ' LYS . 29.8 t70 -65.97 -44.21 85.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.919 0.39 . . . . 0.0 110.175 177.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -73.35 -29.28 62.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.033 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.57 -53.55 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.405 HG22 HG22 ' A' ' 61' ' ' THR . 24.3 p -65.16 -38.57 90.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.766 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.55 ' HB2' ' HE3' ' B' ' 62' ' ' LYS . 23.6 ttmt -56.91 -47.34 80.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.001 173.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.1 -32.79 72.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.391 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 61' ' ' THR . 58.0 mt -58.54 -49.48 77.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.679 0.276 . . . . 0.0 110.467 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -59.24 -42.77 91.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.867 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -61.04 -46.36 91.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.325 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.8 p -74.59 -30.34 61.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.758 -175.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.661 0.267 . . . . 0.0 111.284 178.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 12' ' ' VAL . 32.6 t . . . . . 0 N--CA 1.449 -0.508 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -56.1 -43.32 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.391 0.432 . . . . 0.0 110.571 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.6 mp0 -58.88 -44.94 91.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.511 178.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.528 ' O ' HG13 ' A' ' 15' ' ' ILE . 74.1 ttt180 -66.26 -42.96 87.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.735 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 8' ' ' SER . 95.2 t -57.05 -48.46 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.703 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.2 -38.42 91.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.938 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -63.16 -42.42 99.41 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.635 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 11' ' ' ARG . 80.0 mt -62.12 -46.14 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.734 0.302 . . . . 0.0 110.513 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.473 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.6 mt -58.67 -46.01 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.276 177.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -65.33 -38.54 90.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.671 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -62.78 -40.68 98.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.247 0.546 . . . . 0.0 109.842 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.65 -43.24 90.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.596 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.6 mt -61.7 -35.23 77.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.632 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 24.5 m-20 -59.2 -43.33 92.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.277 176.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.97 -43.61 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.076 0.465 . . . . 0.0 110.701 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 HD23 ' A' ' 20' ' ' LEU . 90.7 mt -62.07 -41.73 98.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.357 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.0 t -75.02 -33.11 28.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.083 0.468 . . . . 0.0 110.516 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 34.8 ttmt -60.33 -40.12 89.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.554 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.519 ' HG3' HG12 ' B' ' 15' ' ' ILE . 67.5 mm-40 -88.84 -7.43 56.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.87 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 52.36 53.13 12.86 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.766 -174.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.72 137.93 23.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.443 0.639 . . . . 0.0 111.645 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.598 HG22 ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -83.36 151.02 61.76 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.958 174.385 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.866 ' HB3' HG22 ' B' ' 48' ' ' VAL . 2.7 Cg_exo -36.35 -58.57 0.49 Allowed 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.919 3.08 . . . . 0.0 113.554 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.0 -52.8 59.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -59.61 -44.71 93.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.274 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.7 76.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.157 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 99.1 mt -59.33 -42.87 92.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.7 ttp -61.85 -44.3 97.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.6 m -68.89 -48.08 64.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.823 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 41' ' ' VAL . 98.0 mt -60.96 -42.42 98.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.82 96.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.915 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -66.82 -36.51 82.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.685 0.243 . . . . 0.0 111.092 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.95 -47.36 80.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.56 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 37' ' ' LEU . 48.3 t -60.87 -50.87 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.524 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.0 m -57.52 -29.94 64.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.778 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -75.84 -46.7 28.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.333 -0.229 . . . . 0.0 111.272 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 tt -74.71 -26.53 19.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.498 -174.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 41' ' ' VAL . 70.4 mt -65.53 -29.49 47.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.032 0.444 . . . . 0.0 110.308 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.1 -21.05 63.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -78.69 -24.2 45.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.947 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' B' ' 30' ' ' PRO . 19.4 t -72.08 135.98 82.31 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.557 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HG2' ' HD3' ' A' ' 52' ' ' LYS . 10.1 Cg_endo -54.91 139.16 78.87 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.821 2.347 . . . . 0.0 111.747 177.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -52.69 -35.41 55.38 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.337 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 t -54.81 -30.06 56.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.492 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.498 ' HG3' HG12 ' A' ' 48' ' ' VAL . 20.2 ptmt -125.03 2.24 7.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.842 0.353 . . . . 0.0 111.072 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -68.73 -34.5 75.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.5 t -75.92 -40.8 38.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.28 93.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.761 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.33 -35.85 75.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.672 HG22 ' HG2' ' B' ' 65' ' ' LYS . 14.0 p -78.93 -35.53 17.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.84 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.76 -50.46 72.28 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.992 0.425 . . . . 0.0 110.168 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -67.21 -28.79 68.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.185 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -62.74 -52.63 62.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.043 0.449 . . . . 0.0 109.889 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.464 HG21 ' HG3' ' B' ' 65' ' ' LYS . 47.0 p -67.41 -31.54 71.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.848 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -60.63 -54.46 45.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.231 174.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.14 99.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.887 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 68' ' ' VAL . 16.8 mt -53.19 -68.78 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.528 ' HD3' ' HA ' ' B' ' 58' ' ' ASP . 53.7 mtmt -63.1 -38.49 91.38 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -172.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -64.83 -41.87 95.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.703 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -70.57 -36.7 73.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.73 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 64' ' ' LEU . 74.9 t -66.83 -31.83 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 111.142 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.4 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.92 0.391 . . . . 0.0 110.582 176.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.416 ' O ' HG23 ' B' ' 12' ' ' VAL . 20.6 m . . . . . 0 N--CA 1.448 -0.535 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -63.63 -24.55 67.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.688 0.28 . . . . 0.0 110.469 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.34 -44.49 95.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.127 172.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.566 ' O ' HG13 ' B' ' 15' ' ' ILE . 31.9 ttt180 -73.1 -36.86 66.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.377 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 8' ' ' SER . 62.6 t -58.3 -44.3 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -61.61 -41.66 97.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.855 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -58.91 -50.03 75.56 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.738 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.3 mt -57.65 -48.25 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.764 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.54 -43.82 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.396 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -64.62 -38.65 91.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.131 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.91 -37.06 81.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.604 0.24 . . . . 0.0 110.839 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 94.8 mt -62.17 -48.26 80.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.954 0.407 . . . . 0.0 109.978 175.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.436 HD23 HD12 ' B' ' 23' ' ' LEU . 95.5 mt -65.3 -32.23 73.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.342 177.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -60.82 -44.53 96.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.646 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.63 -36.18 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.172 0.51 . . . . 0.0 110.427 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.581 HD22 HG21 ' B' ' 28' ' ' VAL . 81.7 mt -66.16 -36.49 83.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.712 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 20' ' ' LEU . 92.1 t -76.07 -38.33 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.267 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -52.24 -44.31 64.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.175 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.488 ' HG3' HG12 ' A' ' 15' ' ' ILE . 54.1 mm-40 -89.82 -13.95 35.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.026 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 50.65 57.14 6.95 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.394 0.616 . . . . 0.0 109.965 -170.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.581 HG21 HD22 ' B' ' 23' ' ' LEU . 22.4 m -70.6 161.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.362 -175.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 60.4 p -93.41 163.37 24.97 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.276 173.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.518 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 84.4 Cg_exo -48.71 -48.08 18.83 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.219 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.35 -43.93 93.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.982 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.91 -40.95 95.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.79 79.16 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.855 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 94.6 mt -59.09 -44.46 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 48.0 ttp -62.5 -39.92 95.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.261 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m -74.44 -49.17 23.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.758 0.313 . . . . 0.0 111.161 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.596 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.8 mt -63.44 -50.27 70.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.65 -34.96 91.13 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.593 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' B' ' 35' ' ' MET . 22.4 t-20 -67.97 -41.55 82.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.491 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -63.93 -44.17 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.908 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 37' ' ' LEU . 94.3 t -56.73 -40.37 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.637 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 54.7 m -59.59 -40.13 86.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.245 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -78.63 -22.84 46.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.247 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.491 HG12 ' O ' ' B' ' 40' ' ' ALA . 38.6 mm -74.31 -45.18 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.92 0.39 . . . . 0.0 110.34 177.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.533 HD13 ' HB ' ' B' ' 57' ' ' VAL . 77.8 mt -63.17 -26.97 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.793 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.72 -16.97 62.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -91.39 -25.59 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.24 0.543 . . . . 0.0 110.119 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.866 HG22 ' HB3' ' A' ' 30' ' ' PRO . 34.5 t -64.83 141.89 98.45 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.527 176.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.531 ' HB2' ' HG2' ' B' ' 52' ' ' LYS . 68.9 Cg_exo -39.49 125.84 1.43 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.177 2.585 . . . . 0.0 112.891 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.485 ' HA ' ' HG3' ' B' ' 53' ' ' ARG . 29.3 tt0 -54.48 -38.89 66.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.544 -171.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -62.45 -25.27 67.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.531 ' HG2' ' HB2' ' B' ' 49' ' ' PRO . 19.4 ptpt -110.38 2.32 18.96 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.842 -176.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.485 ' HG3' ' HA ' ' B' ' 50' ' ' GLU . 84.5 mtt180 -58.87 -42.65 89.94 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.609 0.242 . . . . 0.0 111.625 -176.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.61 -36.19 73.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.296 0.57 . . . . 0.0 110.524 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.24 -47.63 60.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.241 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.38 -34.19 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -176.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.533 ' HB ' HD13 ' B' ' 45' ' ' ILE . 12.3 p -73.89 -36.96 46.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.971 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.528 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 36.8 t70 -71.69 -43.32 66.17 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.208 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -62.86 -32.84 74.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.143 175.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -62.94 -51.69 65.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.685 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 50.2 p -65.11 -35.42 81.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.242 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -58.91 -58.04 10.4 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.578 174.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.17 84.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.472 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.427 ' O ' HG23 ' B' ' 68' ' ' VAL . 9.3 mt -53.68 -66.41 0.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.425 177.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.672 ' HG2' HG22 ' A' ' 57' ' ' VAL . 41.5 mtmt -69.16 -19.33 64.0 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.349 -173.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -68.26 -43.81 77.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.985 0.422 . . . . 0.0 110.107 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.0 m -87.37 -18.82 29.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.623 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 64' ' ' LEU . 54.5 t . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -54.71 -38.2 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.716 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.74 -30.98 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.445 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.576 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.6 ttt-85 -69.64 -47.97 61.55 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.69 -39.48 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.446 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -55.39 -48.72 73.9 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.225 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -63.41 -45.31 91.57 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.491 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 11' ' ' ARG . 72.4 mt -56.47 -47.95 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.641 0.257 . . . . 0.0 110.826 -177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.87 -40.55 87.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.06 0.457 . . . . 0.0 110.171 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -62.81 -47.83 81.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.367 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.43 -44.93 85.06 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.903 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 82.4 mt -60.63 -52.4 65.33 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.253 0.549 . . . . 0.0 110.822 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 23' ' ' LEU . 84.8 mt -65.25 -33.63 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.398 -178.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -62.66 -44.76 95.45 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.41 -43.03 93.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.28 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.422 HD12 HD23 ' A' ' 20' ' ' LEU . 98.7 mt -61.75 -47.3 85.84 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.083 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 20' ' ' LEU . 96.0 t -67.32 -38.34 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.832 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -58.12 -43.65 87.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.143 0.497 . . . . 0.0 110.658 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -79.56 -6.48 57.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.328 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.25 43.07 29.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.0 m -65.97 146.36 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.04 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 p -81.35 161.74 61.19 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.497 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 52.0 Cg_exo -53.82 -36.09 81.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 121.845 1.696 . . . . 0.0 110.971 174.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.45 -55.14 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.608 176.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.622 HD11 HG22 ' B' ' 12' ' ' VAL . 53.1 tp -62.72 -40.83 98.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.154 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB3' HG21 ' B' ' 44' ' ' ILE . . . -60.74 -45.06 95.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.291 -178.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.5 mt -64.22 -37.59 88.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.727 0.298 . . . . 0.0 110.898 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.5 ttp -68.02 -30.12 69.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.762 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.3 m -81.71 -50.21 9.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.9 0.381 . . . . 0.0 110.592 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.8 mt -64.9 -50.24 67.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.561 -176.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.59 82.04 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.208 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -70.21 -42.15 72.7 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -61.91 -43.74 98.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.667 176.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 37' ' ' LEU . 78.2 t -57.48 -47.83 84.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.27 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.4 m -61.25 -35.63 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.93 -25.79 60.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.597 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 40' ' ' ALA . 40.0 mm -83.69 -45.0 18.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.025 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.467 HD13 ' HB ' ' A' ' 57' ' ' VAL . 64.7 mt -62.33 -26.86 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 121.089 0.471 . . . . 0.0 111.084 -178.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.2 -22.88 65.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.448 . . . . 0.0 110.892 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -93.04 -8.86 41.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.254 0.549 . . . . 0.0 110.449 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.635 HG22 ' HB3' ' B' ' 30' ' ' PRO . 58.3 t -79.16 136.01 57.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.662 178.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -59.23 140.81 96.45 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.681 2.254 . . . . 0.0 111.982 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.8 -32.7 20.82 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.156 -176.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 m -53.32 -31.38 43.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -129.73 5.67 5.08 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.268 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -61.19 -44.33 97.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 111.184 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.0 -33.74 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.507 0.67 . . . . 0.0 110.073 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.57 -45.55 68.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.354 -177.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.7 m -63.52 -41.32 92.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.467 ' HB ' HD13 ' A' ' 45' ' ' ILE . 7.1 p -70.93 -35.53 60.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.989 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.82 -43.69 65.16 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.245 178.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.69 -39.32 91.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.754 0.311 . . . . 0.0 110.304 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.54 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 63.5 t80 -57.44 -55.7 31.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.363 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.661 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 21.3 p -64.58 -38.57 91.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.707 -176.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -62.37 -57.84 9.84 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.079 0.466 . . . . 0.0 110.761 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.37 -36.95 83.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.164 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 1.2 tt -59.99 -51.48 69.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.197 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 61' ' ' THR . 10.3 mtmp? -58.55 -46.11 87.54 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.264 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.84 -23.7 61.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.843 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 m -81.89 -17.92 45.55 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.239 0.543 . . . . 0.0 110.752 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.3 t -85.1 -42.19 16.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 174.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.443 177.527 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.523 ' O ' HG23 ' B' ' 12' ' ' VAL . 13.7 t . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.76 -32.48 65.65 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.2 0.313 . . . . 0.0 110.758 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -55.45 -54.24 46.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.168 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.549 ' O ' HG13 ' B' ' 15' ' ' ILE . 63.8 ttt180 -66.42 -43.46 85.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.033 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.622 HG22 HD11 ' A' ' 32' ' ' LEU . 91.9 t -55.7 -57.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.524 -177.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.498 ' HA ' HD12 ' B' ' 16' ' ' ILE . 38.6 mt-10 -73.05 -19.77 61.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.057 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -73.61 -36.33 65.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.112 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.563 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 88.5 mt -61.14 -46.26 96.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 174.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' B' ' 13' ' ' GLU . 63.5 mt -56.85 -46.72 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.411 175.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -57.46 -45.68 84.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.392 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.423 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.2 t0 -65.77 -37.13 85.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 86.5 mt -65.48 -46.4 79.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.089 0.471 . . . . 0.0 110.315 175.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 93.7 mt -61.68 -39.18 90.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.707 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.7 -41.66 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.879 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 99.9 t -60.49 -45.69 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.244 176.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.67 -44.34 97.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 20' ' ' LEU . 98.3 t -68.13 -42.5 85.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.073 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -58.46 -45.29 88.89 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.041 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 62.9 mm-40 -76.73 -11.44 59.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.7 -175.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 60.08 37.04 21.24 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.364 0.415 . . . . 0.0 111.039 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m -70.9 150.56 9.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.998 0.427 . . . . 0.0 111.309 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.8 p -79.11 156.7 76.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.576 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.635 ' HB3' HG22 ' A' ' 48' ' ' VAL . 61.5 Cg_exo -52.01 -49.09 18.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.589 2.193 . . . . 0.0 112.601 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.35 -39.59 93.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.104 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -67.03 -46.79 73.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.543 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -57.15 -48.87 77.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.125 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.41 -37.65 86.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 55.2 ttp -62.42 -46.23 89.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 110.416 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -66.19 -43.85 85.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.453 ' O ' HG23 ' B' ' 41' ' ' VAL . 93.7 mt -60.91 -43.91 97.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.812 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.13 -41.72 94.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.464 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -43.63 96.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.679 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.461 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -58.58 -49.45 77.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.873 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.0 t -59.62 -44.76 94.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 51.1 m -59.5 -34.45 72.61 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.508 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -75.93 -32.31 59.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.668 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.461 HG12 ' O ' ' B' ' 40' ' ' ALA . 46.2 mm -67.53 -43.94 86.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.015 0.436 . . . . 0.0 110.636 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 62.7 mt -68.93 -18.82 23.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.269 0.557 . . . . 0.0 110.663 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.4 59.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.296 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -81.99 -28.65 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.311 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.534 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 26.8 m -85.95 161.13 50.89 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.734 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' B' ' 48' ' ' VAL . 13.4 Cg_endo -57.66 147.13 81.56 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.795 2.33 . . . . 0.0 111.991 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.513 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 36.5 mt-10 -64.28 -26.55 68.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.198 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -58.31 -32.19 68.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.051 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.47 ' O ' HG22 ' B' ' 56' ' ' VAL . 19.2 ptpt -108.12 -8.62 15.76 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 120.432 -0.507 . . . . 0.0 112.028 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.513 ' NH1' ' HG2' ' B' ' 50' ' ' GLU . 92.6 mtt180 -57.31 -46.99 82.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 117.934 0.334 . . . . 0.0 111.268 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 39.5 t -70.79 -34.48 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.104 0.478 . . . . 0.0 110.34 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -46.79 69.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.508 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 52' ' ' LYS . 26.9 m -69.64 -40.4 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.366 -177.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -67.6 -34.28 67.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.114 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.69 -47.35 63.54 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.185 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -62.31 -35.63 79.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.284 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -58.43 -50.74 72.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.395 174.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.661 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 46.5 p -69.18 -37.53 78.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.59 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.12 -45.1 96.07 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.154 0.502 . . . . 0.0 110.047 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.53 -50.08 75.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.747 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.3 -52.27 46.72 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.35 0.406 . . . . 0.0 111.554 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -53.71 -52.85 58.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.773 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.85 -17.78 55.06 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -175.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 64.0 m -83.3 -26.94 30.17 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.201 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.607 0.242 . . . . 0.0 111.096 179.671 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -51.77 -43.64 63.07 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.222 0.326 . . . . 0.0 110.701 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -58.23 -43.22 87.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.941 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.5 ' O ' HG13 ' A' ' 15' ' ' ILE . 55.4 ttt180 -66.42 -45.53 79.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.58 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.447 HG22 HD11 ' B' ' 32' ' ' LEU . 47.8 t -59.59 -44.87 94.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.194 0.521 . . . . 0.0 110.013 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -56.9 -42.37 79.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.562 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -65.78 -49.3 68.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.252 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 79.5 mt -56.87 -44.13 81.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.745 -178.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.495 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.0 mt -60.78 -40.36 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.221 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -64.77 -46.36 82.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.549 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -57.55 -38.47 74.82 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.994 0.426 . . . . 0.0 110.682 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 96.6 mt -65.0 -44.27 89.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.42 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 97.1 mt -63.05 -37.28 86.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.616 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.77 -43.83 90.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.71 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.82 -41.74 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.669 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD22 HG21 ' A' ' 28' ' ' VAL . 89.8 mt -60.58 -45.83 92.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.836 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.07 -39.75 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.03 0.443 . . . . 0.0 110.313 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -55.08 -34.31 63.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.586 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' HG3' HG12 ' B' ' 15' ' ' ILE . 81.2 mm-40 -98.6 -9.9 24.15 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -177.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 55.3 46.94 22.52 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.411 0.624 . . . . 0.0 110.284 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.499 HG13 ' HB2' ' A' ' 26' ' ' GLU . 17.2 m -65.93 119.49 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.007 -175.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 32' ' ' LEU . 9.1 t -67.05 149.99 98.19 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 169.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -40.62 -44.3 4.5 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.131 2.554 . . . . 0.0 113.271 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -56.66 18.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.295 0.569 . . . . 0.0 110.295 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.547 ' H ' HG23 ' A' ' 29' ' ' THR . 60.5 tp -63.07 -42.99 99.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.704 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.05 -57.75 11.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.093 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.79 -33.22 75.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.201 -176.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.4 ttp -64.42 -49.08 72.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.661 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.2 m -67.5 -43.54 80.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.96 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.502 HD13 HG22 ' B' ' 41' ' ' VAL . 96.1 mt -61.09 -45.88 92.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.867 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.35 -45.92 93.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.759 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -68.54 -37.6 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.608 0.242 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -60.49 -49.89 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.563 177.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.598 HG11 ' CE2' ' A' ' 60' ' ' PHE . 78.8 t -61.69 -41.4 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.718 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.459 ' HA ' HG22 ' B' ' 68' ' ' VAL . 99.3 m -56.61 -44.77 81.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 178.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.547 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 59.1 t30 -65.94 -36.93 84.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.799 0.333 . . . . 0.0 110.567 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 40' ' ' ALA . 42.2 mm -63.42 -49.64 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.926 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.533 HG22 ' HG3' ' A' ' 53' ' ' ARG . 55.0 mt -73.33 -21.61 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.095 0.474 . . . . 0.0 110.934 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.56 -18.46 62.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.992 0.425 . . . . 0.0 110.859 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 69.1 mt-30 -83.36 -8.6 59.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.454 0.645 . . . . 0.0 109.902 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -91.85 127.53 49.54 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.55 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -51.67 136.75 50.28 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.878 2.385 . . . . 0.0 112.219 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.26 -21.92 37.77 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -175.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -59.9 -34.64 73.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.813 0.339 . . . . 0.0 111.148 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -125.47 15.96 8.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.103 0.478 . . . . 0.0 110.808 -177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.533 ' HG3' HG22 ' A' ' 45' ' ' ILE . 42.2 ttm180 -80.12 -36.57 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.909 -177.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.85 -39.48 84.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.26 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -49.76 76.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.444 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.5 m -71.19 -41.24 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.532 HG22 ' HG2' ' B' ' 65' ' ' LYS . 10.8 p -68.85 -32.93 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.255 -178.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -75.47 -36.31 60.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 110.495 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -72.12 -35.73 69.21 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.768 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.598 ' CE2' HG11 ' A' ' 41' ' ' VAL . 73.3 t80 -58.62 -54.62 45.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.401 0.62 . . . . 0.0 110.153 175.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.585 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 16.7 p -68.08 -37.43 81.22 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.429 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -56.3 -47.72 78.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.714 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.37 -36.67 79.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.315 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 68' ' ' VAL . 9.6 mt -55.78 -59.76 4.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.382 177.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.499 ' HG2' HG22 ' B' ' 57' ' ' VAL . 58.7 mtmt -60.96 -35.26 76.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.002 -176.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.6 -48.63 76.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.099 0.476 . . . . 0.0 110.746 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -74.22 -9.94 59.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.519 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 64' ' ' LEU . 78.1 t -91.3 -46.86 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.343 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 89.5 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.054 0.454 . . . . 0.0 110.5 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.492 ' O ' HG23 ' B' ' 12' ' ' VAL . 35.3 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -56.68 -29.17 62.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.6 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -48.66 -52.8 21.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.616 174.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.581 ' O ' HG13 ' B' ' 15' ' ' ILE . 56.0 ttt180 -82.76 -33.44 27.41 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.834 -175.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 8' ' ' SER . 91.3 t -56.52 -53.61 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.59 0.233 . . . . 0.0 110.464 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -67.43 -35.67 79.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.548 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' B' ' 11' ' ' ARG . 32.5 ttmt -54.03 -48.95 69.97 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.142 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.581 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.0 mt -66.97 -41.15 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.985 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 12' ' ' VAL . 83.1 mt -58.42 -47.6 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.697 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -67.73 -36.17 80.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.764 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.9 -49.65 76.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.338 0.59 . . . . 0.0 109.765 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.19 -47.25 87.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.902 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 78.4 mt -62.21 -39.96 94.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -60.37 -43.61 96.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.53 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 91.1 t -57.41 -47.48 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.99 0.424 . . . . 0.0 110.472 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.34 -48.92 75.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.238 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 20' ' ' LEU . 97.5 t -66.18 -35.65 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.027 -178.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -59.5 -38.59 81.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.441 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -83.47 -11.83 57.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.392 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 59.2 41.55 20.05 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.493 0.496 . . . . 0.0 110.904 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.35 139.0 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.039 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.625 HG23 ' H ' ' B' ' 32' ' ' LEU . 5.8 t -70.99 147.3 93.81 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.379 175.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.531 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 98.3 Cg_exo -43.86 -41.86 11.99 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.195 2.597 . . . . 0.0 113.274 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -64.33 -47.0 81.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.03 0.443 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.625 ' H ' HG23 ' B' ' 29' ' ' THR . 62.4 tp -62.14 -40.85 97.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.369 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.61 76.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.666 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 84.5 mt -60.99 -40.62 94.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.976 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.4 ttp -63.64 -42.17 98.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.887 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.8 m -71.23 -48.74 49.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.657 0.265 . . . . 0.0 110.785 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.477 HD13 HG22 ' A' ' 41' ' ' VAL . 96.8 mt -62.54 -38.51 90.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.057 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.14 -44.59 96.26 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.426 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.521 ' HA ' HG22 ' B' ' 42' ' ' THR . 30.9 m-80 -68.31 -32.09 71.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.803 0.335 . . . . 0.0 110.958 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.501 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -66.18 -49.02 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.502 HG22 HD13 ' A' ' 37' ' ' LEU . 71.1 t -65.53 -44.26 94.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.09 -178.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.521 HG22 ' HA ' ' B' ' 39' ' ' ASN . 14.7 t -65.25 -25.01 67.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.281 -175.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -84.11 -21.36 31.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.316 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.501 HG12 ' O ' ' B' ' 40' ' ' ALA . 49.1 mm -77.64 -42.3 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.703 175.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.551 HG22 ' HG3' ' B' ' 53' ' ' ARG . 54.4 mt -69.58 -20.12 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.435 0.636 . . . . 0.0 110.209 178.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.43 -4.05 49.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.219 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -90.88 -29.78 17.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.472 HG22 ' O ' ' B' ' 45' ' ' ILE . 32.5 m -80.11 152.81 74.34 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.38 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -57.67 148.42 74.06 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.996 2.464 . . . . 0.0 112.446 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.41 -9.64 43.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 111.358 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.6 t -74.04 -18.13 60.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.558 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.47 ' O ' HG23 ' B' ' 56' ' ' VAL . 28.6 mtpp -125.43 -15.5 6.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.706 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.551 ' HG3' HG22 ' B' ' 45' ' ' ILE . 39.4 ttm180 -57.72 -45.96 85.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.323 -171.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.9 t -71.52 -38.34 67.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.089 0.471 . . . . 0.0 110.156 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.46 88.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.753 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 52' ' ' LYS . 69.9 t -63.35 -47.41 92.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.544 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.499 HG22 ' HG2' ' A' ' 65' ' ' LYS . 8.6 p -68.15 -38.74 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.412 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.49 -46.61 79.05 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 109.973 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.11 -38.81 92.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.031 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.444 ' CE2' HG11 ' B' ' 41' ' ' VAL . 73.7 t80 -59.95 -56.32 23.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.057 176.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.585 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 19.2 p -63.98 -41.17 97.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.972 -177.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' B' ' 62' ' ' LYS . 32.6 ttmt -56.73 -55.99 27.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.781 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.32 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.511 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.25 -45.43 93.33 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.34 0.4 . . . . 0.0 110.662 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.532 ' HG2' HG22 ' A' ' 57' ' ' VAL . 7.8 mtmp? -63.22 -36.79 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.196 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.435 HE21 ' HB3' ' B' ' 66' ' ' GLN . 1.0 OUTLIER -64.62 -45.07 88.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.384 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 11.8 p -71.9 -28.94 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.284 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 42' ' ' THR . 55.3 t . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.446 -0.631 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -46.41 80.57 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.321 0.582 . . . . 0.0 110.022 -176.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 1.5 mp0 -53.35 -42.98 67.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.926 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.581 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.5 ttt180 -74.96 -41.88 58.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.995 -177.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 16' ' ' ILE . 93.6 t -55.85 -46.28 80.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 120.714 0.292 . . . . 0.0 110.673 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.35 -25.95 60.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -68.5 -38.99 81.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.015 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 11' ' ' ARG . 74.4 mt -62.91 -46.22 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.913 176.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.456 HG23 ' HB2' ' B' ' 40' ' ' ALA . 69.5 mt -58.13 -42.03 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.209 176.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -61.35 -46.98 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.674 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.29 -41.13 75.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.602 0.239 . . . . 0.0 111.167 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD13 HD23 ' B' ' 37' ' ' LEU . 78.7 mt -62.64 -46.38 88.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 110.455 177.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.407 ' O ' HG23 ' A' ' 24' ' ' VAL . 96.9 mt -60.87 -40.06 91.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.753 178.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.11 -43.59 82.45 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.096 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.6 t -61.71 -44.93 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.074 0.464 . . . . 0.0 110.76 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.06 -44.37 92.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.906 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 20' ' ' LEU . 98.7 t -69.78 -31.55 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.931 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -64.23 -36.18 83.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.837 0.351 . . . . 0.0 110.6 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' HB2' HG13 ' A' ' 28' ' ' VAL . 56.6 mm-40 -84.36 -16.55 42.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.791 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 57.77 53.98 6.62 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.182 0.515 . . . . 0.0 109.696 -173.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.515 HG13 ' HB2' ' A' ' 26' ' ' GLU . 35.2 m -76.29 145.03 11.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.606 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.533 HG23 ' H ' ' A' ' 32' ' ' LEU . 1.2 t -75.63 145.85 79.37 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 171.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -45.98 -39.67 19.88 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.025 2.483 . . . . 0.0 112.9 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.68 -50.09 73.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.022 0.439 . . . . 0.0 110.561 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.657 HD11 HG22 ' B' ' 12' ' ' VAL . 63.2 tp -63.87 -42.56 97.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.516 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.79 -52.55 64.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.075 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.17 -40.19 95.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.044 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.64 -38.63 91.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.769 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.6 m -73.2 -45.84 53.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.414 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD13 HG22 ' B' ' 41' ' ' VAL . 94.9 mt -60.73 -42.68 97.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.187 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.81 -42.97 92.25 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.345 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -68.68 -38.18 80.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.648 0.261 . . . . 0.0 110.611 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -63.7 -46.93 83.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.75 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 37' ' ' LEU . 99.6 t -59.07 -49.47 83.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.355 178.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.6 m -58.86 -36.78 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.221 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -68.63 -36.21 78.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 110.574 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 40' ' ' ALA . 46.3 mm -72.18 -43.99 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.543 HG22 ' HG3' ' A' ' 53' ' ' ARG . 60.5 mt -64.58 -28.99 46.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.727 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -19.85 65.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.306 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -87.95 -11.82 46.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.419 . . . . 0.0 110.098 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.447 HG22 ' CB ' ' B' ' 30' ' ' PRO . 40.8 t -82.05 136.34 47.21 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.965 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -45.64 129.48 11.55 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.727 2.285 . . . . 0.0 111.527 173.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.544 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 26.2 tt0 -60.72 -29.4 69.33 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -169.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -63.38 -30.24 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.651 0.262 . . . . 0.0 111.535 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -112.68 8.81 19.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.146 0.498 . . . . 0.0 110.121 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.544 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 41.6 ttm180 -74.56 -42.25 59.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.994 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.46 -31.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.927 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.86 -52.57 35.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.273 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.4 m -64.27 -37.01 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.101 -175.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 p -72.73 -34.68 47.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.038 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -43.51 73.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.097 0.475 . . . . 0.0 110.232 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -64.88 -38.46 91.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.223 175.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -58.29 -52.3 66.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.438 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 24.8 p -65.33 -37.77 88.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.786 -177.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 62.0 tttm -64.88 -51.51 61.57 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 120.932 0.396 . . . . 0.0 110.615 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.12 83.23 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.934 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -55.23 -58.71 6.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.378 177.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 61' ' ' THR . 46.6 mtpt -58.86 -48.31 81.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.911 -172.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 4.4 pt20 -71.5 -29.38 64.73 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.043 -176.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 m -82.83 -16.55 47.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.136 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.8 t -91.1 -42.53 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.968 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.16 -178.317 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.417 ' O ' HG23 ' B' ' 12' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -64.46 -24.26 67.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.623 -177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 1.6 mp0 -55.5 -54.97 37.31 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.155 0.502 . . . . 0.0 109.732 174.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.522 ' O ' HG13 ' B' ' 15' ' ' ILE . 24.7 ttm180 -68.59 -48.42 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.152 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.657 HG22 HD11 ' A' ' 32' ' ' LEU . 87.7 t -53.7 -50.97 47.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 120.72 0.295 . . . . 0.0 111.537 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.81 -34.02 75.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.42 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -63.95 -46.85 82.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.935 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 11' ' ' ARG . 84.0 mt -55.0 -50.73 60.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.44 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.575 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 66.5 mt -58.76 -44.36 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.6 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -64.25 -45.22 89.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.264 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.433 ' O ' HG23 ' B' ' 22' ' ' VAL . 2.6 m-20 -61.86 -42.03 98.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.927 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 96.0 mt -60.74 -45.1 95.61 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.584 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 91.6 mt -60.13 -43.08 95.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.93 -35.03 79.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.842 0.353 . . . . 0.0 110.603 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' B' ' 25' ' ' LYS . 59.1 t -59.15 -40.39 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.471 175.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -71.81 -37.93 70.3 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.404 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 20' ' ' LEU . 98.8 t -67.2 -40.34 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.431 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 21.1 pttp -65.59 -24.45 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.306 . . . . 0.0 111.005 -177.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.647 ' HB2' HG13 ' B' ' 28' ' ' VAL . 74.6 mm-40 -91.36 -12.58 34.5 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.717 0.294 . . . . 0.0 110.569 177.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 56.34 42.23 28.02 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.535 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' B' ' 26' ' ' GLU . 32.9 m -67.34 150.09 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.401 -178.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.76 152.43 72.18 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 171.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.514 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 83.8 Cg_exo -48.69 -48.09 18.76 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.594 2.196 . . . . 0.0 112.489 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.94 -42.55 99.24 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.07 -44.32 92.76 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.671 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.85 91.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.994 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 84.8 mt -62.05 -40.54 96.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.476 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 49.5 ttp -62.58 -40.08 95.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.748 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 72.0 m -71.64 -47.34 55.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.009 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.566 ' O ' HG23 ' B' ' 41' ' ' VAL . 89.0 mt -60.8 -52.88 63.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.37 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.64 -34.49 89.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.584 -176.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' B' ' 35' ' ' MET . 10.1 t-20 -67.39 -36.69 81.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.221 0.534 . . . . 0.0 109.846 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.456 ' HB2' HG23 ' A' ' 16' ' ' ILE . . . -71.1 -43.88 66.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.636 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.0 t -57.49 -38.75 65.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 178.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.8 m -59.31 -34.55 72.45 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.973 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -76.99 -38.95 52.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.354 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.441 HG12 ' O ' ' B' ' 40' ' ' ALA . 50.2 mm -64.25 -45.56 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.198 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.542 HG22 ' HG3' ' B' ' 53' ' ' ARG . 65.4 mt -66.11 -24.87 34.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 121.287 0.565 . . . . 0.0 110.634 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.37 -19.3 61.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -86.39 -4.2 59.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.275 0.56 . . . . 0.0 110.098 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.432 HG12 ' HG3' ' B' ' 52' ' ' LYS . 52.6 t -94.33 133.38 27.26 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.294 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -51.71 138.81 49.71 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.835 2.356 . . . . 0.0 111.947 176.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.59 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 19.8 mt-10 -62.15 -27.23 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -171.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 45.3 t -57.08 -35.49 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.389 . . . . 0.0 110.87 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.432 ' HG3' HG12 ' B' ' 48' ' ' VAL . 0.7 OUTLIER -112.04 -8.69 14.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.104 179.508 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.59 ' HB3' ' HA ' ' B' ' 50' ' ' GLU . 41.9 ttm180 -62.68 -49.56 74.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 111.158 -177.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.09 -34.18 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.936 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.38 -49.72 58.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.062 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.55 -33.65 63.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -72.14 -41.02 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.893 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -38.69 89.61 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.918 0.39 . . . . 0.0 110.485 176.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -68.33 -39.99 81.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.707 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -60.2 -49.98 75.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.425 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 34.4 p -67.49 -34.18 76.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.086 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -68.86 -44.59 73.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.335 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.04 97.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.439 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 47.7 mt -58.11 -58.22 9.4 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 176.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -54.53 -48.61 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.726 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -65.79 -29.11 69.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 111.581 -176.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.2 m -93.08 -19.96 21.0 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 C--N 1.328 -0.356 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -178.885 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.6 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -61.04 -45.02 96.47 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 -176.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -60.93 -33.63 73.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.441 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 15' ' ' ILE . 30.5 ttt85 -67.36 -43.96 80.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.792 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 16' ' ' ILE . 48.5 t -55.84 -50.34 69.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.338 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -57.45 -45.59 84.58 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.165 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.09 -49.03 79.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.177 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.533 HD13 HG12 ' B' ' 28' ' ' VAL . 63.6 mt -59.51 -44.33 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.815 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 12' ' ' VAL . 78.0 mt -59.5 -47.24 91.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.545 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -64.31 -39.35 93.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.983 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.421 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.7 t70 -68.67 -34.76 76.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.436 -178.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.475 HD13 HD23 ' B' ' 37' ' ' LEU . 99.0 mt -66.52 -47.9 71.46 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.166 0.508 . . . . 0.0 110.163 174.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.89 -28.44 69.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.439 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.556 ' HA ' HG12 ' A' ' 24' ' ' VAL . 13.4 t70 -68.69 -37.83 79.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.375 177.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 18' ' ' ASP . 66.6 t -60.53 -37.85 76.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.44 0.638 . . . . 0.0 109.602 175.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.97 -34.34 73.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.232 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.556 HG12 ' HA ' ' A' ' 21' ' ' ASP . 3.6 p -82.53 -21.06 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 110.344 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 55.1 mttp -57.86 -39.96 79.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.203 0.525 . . . . 0.0 109.918 171.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.543 ' HB2' HG13 ' A' ' 28' ' ' VAL . 17.7 mm-40 -96.46 -25.64 15.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.834 -176.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 59.28 59.65 2.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.569 0.699 . . . . 0.0 109.681 -170.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.543 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.0 m -79.1 153.97 4.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.585 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 p -79.09 157.79 75.47 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.706 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.46 -42.19 56.41 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.471 2.114 . . . . 0.0 111.928 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.2 -51.54 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.965 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.442 HD11 HG22 ' B' ' 12' ' ' VAL . 52.3 tp -65.98 -41.88 90.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.675 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.04 -54.78 43.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.32 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.66 -35.6 78.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.319 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.1 ttp -66.52 -43.64 84.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.1 m -71.97 -42.55 66.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.883 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 41' ' ' VAL . 93.1 mt -61.08 -44.29 97.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.034 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.01 -43.8 93.07 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.607 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -62.41 -38.92 91.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 111.19 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.3 -38.49 90.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.616 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 37' ' ' LEU . 57.9 t -67.18 -49.5 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.809 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.8 m -61.32 -33.17 73.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.041 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -63.03 -30.02 71.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.04 0.448 . . . . 0.0 110.836 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -82.32 -42.68 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.308 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.53 HD13 ' HB ' ' A' ' 57' ' ' VAL . 68.1 mt -64.52 -32.78 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.302 -178.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.73 -10.85 51.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.842 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -91.19 -5.71 54.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.42 . . . . 0.0 110.7 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.469 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 17.0 t -90.36 139.99 26.94 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.677 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.67 148.18 90.2 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.122 1.881 . . . . 0.0 112.255 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.42 ' CD ' HH21 ' A' ' 53' ' ' ARG . 4.0 tp10 -59.68 -19.13 47.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.856 -170.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -63.34 -32.43 73.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.81 7.84 3.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.441 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.469 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 37.4 ttp180 -66.81 -37.95 85.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.998 0.428 . . . . 0.0 110.706 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -73.24 -31.31 33.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.201 0.524 . . . . 0.0 110.024 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.28 -44.3 72.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.553 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.41 -37.96 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.53 ' HB ' HD13 ' A' ' 45' ' ' ILE . 7.4 p -73.92 -29.22 25.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.883 0.373 . . . . 0.0 110.445 177.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.34 -52.08 37.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -60.6 -37.72 82.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.504 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.409 ' HE1' ' O ' ' B' ' 34' ' ' LEU . 64.8 t80 -57.46 -60.1 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.316 176.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.508 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 24.0 p -66.16 -36.79 84.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.39 -176.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 16.2 tptm -60.45 -56.05 26.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.964 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -30.39 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.573 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 5.1 tt -62.43 -47.23 84.99 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.596 ' HG2' HG22 ' B' ' 57' ' ' VAL . 53.5 mtmt -66.9 -33.89 76.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.043 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 62' ' ' LYS . 78.2 mt-30 -62.9 -29.16 70.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 110.447 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -87.69 -20.7 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.248 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 64' ' ' LEU . 73.7 t -93.69 -41.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.745 -178.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -177.088 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -57.88 -38.43 75.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.753 0.311 . . . . 0.0 110.815 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' B' ' 10' ' ' GLU . 2.5 mp0 -57.87 -41.15 81.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.91 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.545 ' O ' HG13 ' B' ' 15' ' ' ILE . 51.2 ttt180 -74.35 -45.17 48.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.691 -176.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.442 HG22 HD11 ' A' ' 32' ' ' LEU . 59.0 t -57.95 -42.84 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.164 177.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.81 -51.09 70.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.866 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -59.25 -44.4 92.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.287 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 11' ' ' ARG . 71.7 mt -59.43 -46.85 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.694 0.283 . . . . 0.0 110.789 -177.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.3 -44.55 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.571 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.85 -47.85 81.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.766 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -43.04 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.316 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 96.0 mt -60.71 -43.36 97.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.562 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.4 -35.82 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.671 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -63.9 -45.27 90.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.662 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.86 -39.53 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.32 . . . . 0.0 110.81 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 19' ' ' LEU . 94.5 mt -59.49 -50.18 74.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.274 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -75.65 -24.99 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 110.46 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -66.87 -36.73 82.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.619 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.509 ' HG3' HG12 ' A' ' 15' ' ' ILE . 80.7 mm-40 -86.49 -6.06 59.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.557 174.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 59.88 41.31 18.06 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.533 HG12 HD13 ' A' ' 15' ' ' ILE . 30.5 m -64.76 147.93 12.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.497 ' OG1' ' HD2' ' B' ' 30' ' ' PRO . 12.7 t -99.03 152.96 37.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 172.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.497 ' HD2' ' OG1' ' B' ' 29' ' ' THR . 53.5 Cg_exo -34.07 -51.96 0.58 Allowed 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.795 2.997 . . . . 0.0 114.404 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.13 -56.86 15.98 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.128 0.489 . . . . 0.0 110.423 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -57.93 -40.61 80.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.159 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.21 -54.17 49.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.77 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.409 ' O ' ' HE1' ' A' ' 60' ' ' PHE . 90.6 mt -62.61 -41.66 99.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.861 -178.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.527 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 36.8 ttp -60.29 -46.65 89.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.982 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 90.4 m -69.93 -45.25 67.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.224 -0.191 . . . . 0.0 111.443 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.555 ' O ' HG23 ' B' ' 41' ' ' VAL . 80.5 mt -60.48 -52.88 63.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.591 0.234 . . . . 0.0 111.192 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.57 -33.01 86.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.374 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' B' ' 35' ' ' MET . 14.6 t-20 -67.54 -39.25 85.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.013 0.435 . . . . 0.0 109.941 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.49 -43.02 86.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.328 176.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.555 HG23 ' O ' ' B' ' 37' ' ' LEU . 90.2 t -57.15 -47.37 84.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.325 176.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 60.5 m -57.3 -39.73 76.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.05 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 0.2 OUTLIER -67.21 -39.39 86.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.067 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -65.84 -48.79 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.876 0.369 . . . . 0.0 110.734 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.551 HG22 ' HG3' ' B' ' 53' ' ' ARG . 59.5 mt -65.34 -26.32 39.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.038 0.447 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.61 -11.34 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.341 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.3 mt-30 -93.21 -10.63 35.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.233 0.54 . . . . 0.0 110.067 177.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.2 t -86.73 136.65 34.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.726 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -47.38 133.71 20.19 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.914 2.409 . . . . 0.0 112.303 176.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -53.63 -32.72 52.49 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.6 t -49.58 -53.15 25.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 111.207 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -102.14 2.39 37.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.293 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.551 ' HG3' HG22 ' B' ' 45' ' ' ILE . 42.4 ttm180 -64.05 -43.07 96.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.957 0.408 . . . . 0.0 110.512 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.8 t -70.31 -29.75 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.36 0.6 . . . . 0.0 110.272 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.3 -49.26 44.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.094 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.8 m -66.78 -34.81 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.643 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.596 HG22 ' HG2' ' A' ' 65' ' ' LYS . 13.5 p -72.55 -31.86 39.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.696 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.27 -44.01 69.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -62.76 -41.63 99.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.86 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.462 ' CE2' HG11 ' B' ' 41' ' ' VAL . 78.2 t80 -57.81 -52.93 63.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.489 0.662 . . . . 0.0 110.638 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.521 HG21 ' HG3' ' A' ' 65' ' ' LYS . 17.9 p -68.17 -35.14 77.56 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.337 -176.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.02 -45.38 81.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.189 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.03 98.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.461 ' O ' HG23 ' B' ' 68' ' ' VAL . 21.8 mt -54.21 -58.9 5.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -62.53 -29.51 70.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.758 -178.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -67.02 -48.46 68.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.745 175.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 69.3 p -66.38 -32.3 73.6 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 111.267 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 64' ' ' LEU . 96.2 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.401 . . . . 0.0 110.105 175.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.6 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -59.87 -38.92 83.57 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -48.64 -49.0 39.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.871 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.566 ' O ' HG13 ' A' ' 15' ' ' ILE . 63.9 ttt180 -73.99 -41.3 62.13 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.789 -176.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 8' ' ' SER . 97.3 t -57.01 -50.34 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.905 0.383 . . . . 0.0 110.538 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.41 -38.94 93.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.926 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -63.94 -41.38 97.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 11' ' ' ARG . 88.0 mt -60.58 -42.04 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.25 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.533 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 70.9 mt -61.67 -41.67 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.04 176.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -62.52 -46.84 86.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.464 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.448 ' HB3' HG11 ' B' ' 22' ' ' VAL . 0.9 OUTLIER -53.17 -44.75 68.1 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.747 176.231 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 83.6 mt -64.27 -43.77 93.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.81 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 91.4 mt -60.23 -42.73 95.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.928 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -61.29 -38.85 88.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.224 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.8 t -60.99 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.199 0.523 . . . . 0.0 110.655 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.5 HD13 HD11 ' B' ' 44' ' ' ILE . 85.4 mt -67.8 -46.44 71.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.371 -176.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.36 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.556 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 33.3 ttpt -53.44 -41.19 65.84 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.405 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' HB2' HG13 ' A' ' 28' ' ' VAL . 9.6 mm-40 -91.7 -0.14 57.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.426 -176.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 52.31 44.78 29.47 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.613 -175.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.447 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.5 m -65.93 136.9 25.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.37 0.605 . . . . 0.0 111.904 -175.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.13 154.87 63.88 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.362 173.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.45 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 96.3 Cg_exo -45.67 -48.19 12.5 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.061 2.507 . . . . 0.0 113.375 -177.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.2 -49.33 78.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.036 0.446 . . . . 0.0 110.66 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -65.18 -42.35 93.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.801 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.45 73.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.286 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.3 mt -62.79 -42.26 99.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -178.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 53.5 ttp -60.28 -41.74 93.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.862 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.9 m -72.99 -49.13 30.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.5 mt -59.56 -52.25 66.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.69 -34.69 90.38 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.659 -177.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 35' ' ' MET . 5.5 t-20 -65.59 -43.83 88.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 109.87 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -64.24 -41.91 96.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.795 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 37' ' ' LEU . 83.9 t -58.61 -42.03 83.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 177.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.9 m -60.53 -36.3 78.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.195 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -72.91 -30.12 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.064 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 40' ' ' ALA . 48.3 mm -69.73 -47.42 70.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.836 0.35 . . . . 0.0 110.076 177.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -70.39 -15.91 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.309 0.576 . . . . 0.0 110.543 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.615 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -71.82 -14.32 61.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.928 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -93.22 6.28 48.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.341 0.591 . . . . 0.0 110.276 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG12 ' HG3' ' A' ' 52' ' ' LYS . 45.3 t -111.19 118.21 48.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.81 -179.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.99 135.8 44.07 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.907 2.405 . . . . 0.0 112.475 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.582 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 2.2 mp0 -41.45 -39.55 1.53 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.7 t -46.4 -43.45 16.31 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.5 0.5 . . . . 0.0 111.466 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.561 ' HG3' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -112.74 -5.4 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.941 179.313 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.615 ' NH1' ' HA ' ' A' ' 46' ' ' ALA . 18.8 ttm-85 -63.93 -48.63 75.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.558 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.56 -32.52 58.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.229 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -45.65 69.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.088 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.93 -37.49 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -177.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.596 HG22 ' HG2' ' B' ' 65' ' ' LYS . 12.5 p -70.88 -35.15 58.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.238 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.493 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 36.4 t70 -67.71 -48.69 65.82 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -59.89 -35.07 74.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.644 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -59.08 -54.79 43.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.2 0.524 . . . . 0.0 110.196 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.573 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 36.4 p -68.48 -36.5 79.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.629 -176.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -66.11 -39.51 90.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.971 0.415 . . . . 0.0 110.299 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 66' ' ' GLN . . . -64.78 -43.06 94.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.353 175.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.73 -47.28 82.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.292 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -57.91 -48.2 80.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.529 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 63' ' ' ALA . 5.1 pp0? -72.41 -17.92 61.76 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.064 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.568 ' HB3' HG21 ' B' ' 42' ' ' THR . 57.7 m -82.11 -42.31 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.677 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.5 t -73.42 -31.27 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.169 0.509 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.237 175.425 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -54.7 -41.06 69.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.037 0.446 . . . . 0.0 110.379 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' B' ' 14' ' ' LYS . 23.8 tt0 -50.56 -56.37 12.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.876 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.467 ' O ' HG13 ' B' ' 15' ' ' ILE . 15.7 ttt180 -66.34 -35.81 81.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.298 -173.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.409 ' O ' HG13 ' B' ' 16' ' ' ILE . 87.3 t -60.55 -53.48 48.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -67.11 -30.54 70.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.16 0.505 . . . . 0.0 110.34 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' B' ' 10' ' ' GLU . 28.2 tttt -60.99 -52.41 65.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.526 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 11' ' ' ARG . 79.5 mt -61.21 -43.4 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.649 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 81.1 mt -58.15 -47.87 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.682 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -67.21 -38.76 85.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.342 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.82 -44.86 91.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.935 0.398 . . . . 0.0 109.931 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.428 HD13 HD23 ' A' ' 37' ' ' LEU . 88.9 mt -60.2 -47.51 85.66 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.726 175.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.484 ' O ' HG23 ' B' ' 24' ' ' VAL . 81.0 mt -60.32 -38.35 83.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.278 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -63.09 -42.55 99.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.622 0.249 . . . . 0.0 110.739 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.448 HG11 ' HB3' ' A' ' 18' ' ' ASP . 63.5 t -59.78 -43.02 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.081 0.467 . . . . 0.0 110.179 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.03 -43.06 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.111 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 20' ' ' LEU . 91.7 t -68.3 -37.2 77.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.772 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -58.13 -39.49 78.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.839 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.44 ' HB2' HG13 ' B' ' 28' ' ' VAL . 35.5 mm-40 -86.14 -11.14 53.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.056 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 54.33 49.88 17.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.542 -175.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.44 HG13 ' HB2' ' B' ' 26' ' ' GLU . 33.5 m -68.31 142.11 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.308 -178.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 45.9 p -77.01 160.11 77.0 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.273 175.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.452 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 68.6 Cg_exo -52.52 -40.58 71.78 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 121.941 1.76 . . . . 0.0 111.282 174.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.46 -52.55 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.147 176.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.39 -42.05 93.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.044 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.22 -52.33 65.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 80.8 mt -59.73 -38.17 80.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.149 -178.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttp -66.36 -44.62 82.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.898 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 61.3 m -71.14 -48.9 49.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.541 HD13 HG22 ' A' ' 41' ' ' VAL . 88.8 mt -64.1 -40.13 95.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -178.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.61 -39.5 93.43 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.532 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -70.68 -37.59 73.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.624 0.25 . . . . 0.0 110.815 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.31 86.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.445 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 37' ' ' LEU . 73.7 t -61.52 -49.18 85.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.551 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.568 HG21 ' HB3' ' A' ' 67' ' ' SER . 89.6 m -56.28 -43.92 79.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 178.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.549 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 51.0 t30 -56.16 -38.48 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.12 -178.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 23' ' ' LEU . 63.7 mt -83.11 -41.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.631 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.461 HG21 ' HB ' ' B' ' 57' ' ' VAL . 62.9 mt -64.43 -33.14 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.063 0.459 . . . . 0.0 110.782 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.25 -9.25 57.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.355 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.1 mt-30 -93.62 -6.48 46.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.434 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -88.13 144.83 34.99 Favored Pre-proline 0 N--CA 1.449 -0.476 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -174.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -40.54 119.69 0.8 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.613 2.209 . . . . 0.0 111.414 172.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.568 ' HA ' ' HG2' ' B' ' 53' ' ' ARG . 25.1 tt0 -49.07 -37.66 21.86 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.631 0.582 . . . . 0.0 112.045 -172.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.8 t -57.32 -29.41 63.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.017 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -118.49 -12.26 9.84 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.326 -0.55 . . . . 0.0 112.255 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.568 ' HG2' ' HA ' ' B' ' 50' ' ' GLU . 3.7 ptp180 -65.9 -30.76 71.41 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.364 -0.535 . . . . 0.0 110.1 -178.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 44.3 t -73.26 -32.53 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.272 0.558 . . . . 0.0 110.049 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.89 -45.3 58.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.775 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' B' ' 53' ' ' ARG . 34.6 m -67.49 -31.22 51.74 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.63 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.461 ' HB ' HG21 ' B' ' 45' ' ' ILE . 11.0 p -76.1 -34.73 27.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.917 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.18 -45.72 69.28 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -59.57 -42.46 92.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.174 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -56.81 -59.55 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.419 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.573 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 21.4 p -64.03 -36.62 84.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.654 -176.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 85.0 tttt -63.22 -56.26 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.402 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.36 80.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.624 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.74 -46.66 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.596 ' HG2' HG22 ' A' ' 57' ' ' VAL . 51.8 mtmt -69.14 -25.78 64.55 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.23 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 29.2 mt-30 -69.05 -43.06 75.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.069 0.461 . . . . 0.0 110.345 173.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 m -66.83 -32.78 74.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.668 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.847 177.874 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -57.5 -35.24 69.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 123.166 0.291 . . . . 0.0 110.742 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.15 -52.97 63.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.877 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' HG13 ' A' ' 15' ' ' ILE . 28.4 tpt180 -54.38 -45.18 72.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.928 -177.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 16' ' ' ILE . 51.8 t -62.45 -57.59 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.168 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.94 -32.6 74.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.482 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 13.2 tmtt? -62.94 -49.49 74.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.26 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.419 HD13 HG12 ' B' ' 28' ' ' VAL . 78.9 mt -61.68 -42.66 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.325 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 72.7 mt -60.41 -48.39 88.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.58 176.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -60.47 -40.34 90.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.367 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.2 -42.91 96.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.157 0.504 . . . . 0.0 109.795 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.69 -44.87 95.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.402 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.9 mt -60.22 -38.85 84.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.597 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -57.01 -46.32 82.42 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.544 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 80.7 t -57.55 -44.53 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.625 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.37 -49.45 69.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.219 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 20' ' ' LEU . 57.4 t -65.36 -37.28 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.863 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -67.75 -11.13 57.76 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 111.681 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.641 ' HB2' HG13 ' A' ' 28' ' ' VAL . 79.4 mm-40 -101.34 -7.19 23.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.557 0.217 . . . . 0.0 110.701 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 55.78 40.32 30.74 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.564 -173.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.9 m -64.61 145.61 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.152 0.501 . . . . 0.0 111.575 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 p -83.11 159.52 62.3 Favored Pre-proline 0 N--CA 1.445 -0.678 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 172.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.479 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 9.2 Cg_endo -53.5 -44.81 45.84 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.481 2.121 . . . . 0.0 112.177 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.76 -43.02 90.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.436 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.44 HD11 HG22 ' B' ' 12' ' ' VAL . 61.1 tp -62.49 -45.09 94.61 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.763 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' B' ' 44' ' ' ILE . . . -58.69 -42.81 89.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -178.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 86.0 mt -60.96 -40.74 94.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.2 ttp -64.3 -41.3 96.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.652 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.1 m -70.0 -49.96 46.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.001 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.1 mt -61.09 -41.25 96.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.22 -41.03 92.62 Favored Glycine 0 C--N 1.329 0.159 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.599 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -76.02 -35.21 59.6 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.444 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.03 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 37' ' ' LEU . 58.9 t -60.47 -52.63 59.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.168 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.4 m -59.78 -35.44 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.306 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -60.34 -38.09 82.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.532 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 48' ' ' VAL . 16.0 tt -88.72 -25.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.899 -179.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 41' ' ' VAL . 55.9 mt -65.09 -32.61 59.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 121.271 0.558 . . . . 0.0 110.223 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.39 -16.53 62.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.984 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -86.34 -16.73 36.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.495 0.664 . . . . 0.0 109.842 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 44' ' ' ILE . 24.7 t -86.49 137.6 34.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.977 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.8 146.9 96.7 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.592 2.195 . . . . 0.0 112.523 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.584 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 3.0 mm-40 -54.23 -32.03 54.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.296 -175.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t -50.11 -33.63 19.36 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.578 0.549 . . . . 0.0 112.021 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -127.01 1.0 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.322 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.584 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 42.8 ttm180 -61.64 -45.96 91.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.917 0.389 . . . . 0.0 111.178 -178.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.89 -30.33 32.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.231 0.538 . . . . 0.0 110.304 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.2 -46.01 65.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.173 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.482 ' HB ' ' CD1' ' B' ' 34' ' ' LEU . 26.9 m -65.03 -37.48 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.683 -176.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.8 -33.93 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.772 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -69.37 -43.65 73.14 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.876 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -68.49 -35.66 77.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -61.95 -51.08 69.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.115 0.483 . . . . 0.0 110.283 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.8 p -65.27 -37.55 87.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.198 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -62.33 -49.45 75.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.121 0.486 . . . . 0.0 110.386 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.88 -39.31 84.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.502 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.7 mt -58.44 -55.15 38.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.181 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -55.62 -40.62 72.38 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.005 0.431 . . . . 0.0 111.151 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -68.54 -50.87 48.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.957 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 p -72.54 -28.87 63.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.821 -173.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.6 t -74.31 -49.27 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.599 0.238 . . . . 0.0 111.464 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--N 1.331 -0.211 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.34 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.475 0.178 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -58.31 -44.76 88.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.36 -43.23 95.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.721 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.523 ' O ' HG13 ' B' ' 15' ' ' ILE . 76.2 ttt180 -71.51 -40.04 70.41 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.067 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.458 ' O ' HG13 ' B' ' 16' ' ' ILE . 69.5 t -61.85 -43.79 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.66 -40.15 96.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.406 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' B' ' 11' ' ' ARG . 47.1 tttm -52.65 -55.48 22.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.318 175.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 11' ' ' ARG . 59.0 mt -55.6 -47.63 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.93 -178.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 12' ' ' VAL . 75.9 mt -58.06 -48.73 83.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -68.23 -34.65 76.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.025 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.531 ' O ' HG23 ' B' ' 22' ' ' VAL . 80.1 m-20 -64.94 -41.5 95.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.8 mt -61.34 -46.92 88.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.402 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.437 ' O ' HG23 ' B' ' 24' ' ' VAL . 91.1 mt -61.18 -38.37 86.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.32 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.04 -38.07 87.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.755 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.589 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 98.7 t -65.94 -38.06 81.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.272 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.595 ' HB2' ' CG2' ' B' ' 28' ' ' VAL . 4.0 pp -78.86 -22.11 46.55 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.139 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 20' ' ' LEU . 83.9 t -78.46 -36.01 19.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 171.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.589 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 79.0 tttt -50.73 -46.95 59.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.818 173.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -92.43 -11.2 35.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.602 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.25 66.35 1.25 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.05 -174.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.648 ' HA ' HD23 ' B' ' 32' ' ' LEU . 21.2 m -73.81 142.91 14.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.116 0.484 . . . . 0.0 110.969 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.556 HG22 ' HD2' ' B' ' 30' ' ' PRO . 0.0 OUTLIER -80.06 159.24 71.16 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 173.037 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.556 ' HD2' HG22 ' B' ' 29' ' ' THR . 94.8 Cg_exo -45.95 -52.22 7.32 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.854 2.369 . . . . 0.0 113.276 -178.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.03 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.648 HD23 ' HA ' ' B' ' 28' ' ' VAL . 60.5 tp -62.44 -41.07 98.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -58.34 -53.63 56.08 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.482 ' CD1' ' HB ' ' A' ' 56' ' ' VAL . 88.7 mt -61.54 -42.15 98.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.254 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.8 ttp -61.66 -43.86 98.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.31 . . . . 0.0 110.954 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 63.7 m -70.27 -46.69 63.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 0.0 110.706 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.593 ' O ' HG23 ' B' ' 41' ' ' VAL . 95.9 mt -60.87 -42.34 97.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.017 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.76 -43.8 86.8 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -70.16 -37.83 75.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.663 0.268 . . . . 0.0 110.608 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.06 92.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.858 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 37' ' ' LEU . 59.2 t -61.13 -52.48 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.064 177.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 30.7 m -61.12 -33.48 73.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.7 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -65.15 -37.27 86.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.149 -178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.464 HD13 ' CB ' ' A' ' 33' ' ' ALA . 19.8 tt -90.7 -22.1 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.931 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.439 HG13 ' O ' ' B' ' 41' ' ' VAL . 52.5 mt -67.57 -26.47 35.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.413 0.625 . . . . 0.0 109.518 171.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.74 -19.06 65.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.451 175.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -88.35 -1.54 58.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.219 0.533 . . . . 0.0 109.928 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.405 HG22 ' CB ' ' A' ' 30' ' ' PRO . 42.6 t -97.63 127.11 38.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.561 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -51.53 132.79 41.8 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.643 2.229 . . . . 0.0 111.715 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.56 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 3.0 mp0 -51.34 -31.36 21.63 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -174.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -52.66 -39.02 61.44 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.342 0.401 . . . . 0.0 111.513 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -114.52 -1.33 13.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.743 0.306 . . . . 0.0 110.745 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.56 ' HB3' ' HA ' ' B' ' 50' ' ' GLU . 40.4 ttm180 -62.71 -44.06 97.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.643 -178.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.15 -36.72 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.175 0.512 . . . . 0.0 110.182 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.27 -46.12 65.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.575 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.429 ' HB ' ' CD1' ' A' ' 34' ' ' LEU . 27.2 m -67.72 -39.14 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -175.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 p -70.91 -32.84 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.708 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -70.38 -48.3 56.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.624 0.249 . . . . 0.0 110.565 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -65.28 -29.75 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.237 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -61.69 -53.19 59.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 45.3 p -64.46 -33.83 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.818 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -62.49 -47.87 82.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 174.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.93 77.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.501 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.434 ' O ' HG23 ' B' ' 68' ' ' VAL . 73.9 mt -60.97 -58.6 7.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.948 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -59.12 -38.48 79.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.68 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -56.4 -60.13 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.266 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.3 m -63.16 -38.32 90.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.875 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 64' ' ' LEU . 71.3 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.898 0.38 . . . . 0.0 110.845 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.3 t . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.473 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 55.2 m-80 -58.09 -40.47 81.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.981 -177.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -56.46 -42.3 77.95 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.967 0.413 . . . . 0.0 110.877 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 15' ' ' ILE . 45.6 ttt180 -73.35 -36.97 66.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.502 -177.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 8' ' ' SER . 96.5 t -60.0 -46.09 94.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.362 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 9' ' ' ASN . 65.2 mt-10 -60.66 -37.29 81.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.441 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -66.25 -45.2 81.43 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.846 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 11' ' ' ARG . 71.6 mt -61.2 -45.74 98.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.916 0.389 . . . . 0.0 110.223 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.87 -46.64 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.647 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -62.67 -48.43 79.32 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.28 -44.42 79.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.282 0.364 . . . . 0.0 111.073 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD13 HD23 ' B' ' 37' ' ' LEU . 97.3 mt -62.82 -46.36 88.32 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 24' ' ' VAL . 86.9 mt -63.88 -37.04 85.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.66 -44.83 73.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.2 t -62.07 -46.47 96.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.758 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 HD21 ' A' ' 37' ' ' LEU . 91.5 mt -62.3 -44.84 95.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.045 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 20' ' ' LEU . 92.1 t -69.03 -37.25 76.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.385 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -56.8 -42.88 80.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.746 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -82.65 -12.26 57.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.76 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 56.55 47.6 18.28 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.204 0.526 . . . . 0.0 110.151 -174.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.12 137.05 25.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.624 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.5 155.21 81.52 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.73 173.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.454 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 84.0 Cg_exo -45.5 -51.18 8.34 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.983 2.455 . . . . 0.0 112.931 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.4 -47.3 85.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.285 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.56 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.802 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.79 -51.05 70.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.357 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.2 mt -59.28 -43.83 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.894 -178.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.0 ttp -61.99 -37.74 85.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.457 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.498 ' HA ' HG12 ' B' ' 16' ' ' ILE . 64.6 m -77.14 -46.94 21.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.9 mt -60.67 -52.82 63.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.192 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.64 -35.43 89.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.733 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -66.99 -44.3 80.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.109 0.481 . . . . 0.0 110.21 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -64.88 -43.66 92.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.574 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 37' ' ' LEU . 84.9 t -62.1 -46.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 t -69.52 -20.76 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.136 0.493 . . . . 0.0 110.954 -173.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -82.98 -31.04 27.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.187 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 40' ' ' ALA . 45.4 mm -72.49 -38.59 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.039 0.447 . . . . 0.0 110.372 178.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.76 -16.88 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.378 0.608 . . . . 0.0 110.727 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.589 ' HA ' HH11 ' A' ' 53' ' ' ARG . . . -74.13 -9.8 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.025 178.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -100.1 6.87 44.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.304 0.573 . . . . 0.0 110.009 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.0 t -102.93 124.36 38.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.802 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -52.23 133.7 48.36 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.787 2.324 . . . . 0.0 112.813 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.526 ' HG2' HH21 ' A' ' 53' ' ' ARG . 5.4 mm-40 -44.34 -34.27 1.91 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.6 t -55.68 -26.36 44.47 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.773 0.32 . . . . 0.0 111.244 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -130.8 1.07 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.389 176.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.589 HH11 ' HA ' ' A' ' 46' ' ' ALA . 12.8 ttm-85 -63.13 -47.51 82.46 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.963 0.411 . . . . 0.0 110.21 -178.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.9 -29.9 47.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.292 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.0 41.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.85 -35.98 72.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.89 -36.19 72.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.658 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -72.11 -44.21 63.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.09 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.07 -38.74 80.15 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.545 176.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.49 -53.31 59.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.302 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.462 HG22 HG22 ' B' ' 61' ' ' THR . 30.8 p -67.76 -34.51 76.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.476 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -66.37 -43.88 84.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.513 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.68 95.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.867 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 68' ' ' VAL . 43.6 mt -57.06 -49.53 75.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.546 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -60.57 -35.17 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.035 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -66.84 -51.74 51.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.362 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.44 ' HB2' HG21 ' B' ' 42' ' ' THR . 26.1 p -69.98 -8.58 50.21 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 64' ' ' LEU . 69.9 t -88.91 -40.81 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.837 0.351 . . . . 0.0 110.264 172.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -53.45 -44.07 68.59 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.33 0.394 . . . . 0.0 111.527 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.36 -35.12 71.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.41 ' O ' HG13 ' B' ' 15' ' ' ILE . 78.1 ttt180 -74.59 -39.93 61.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.482 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.4 t -55.89 -51.46 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.52 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.5 -29.86 70.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.837 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -63.31 -41.76 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.052 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 72.6 mt -64.75 -45.02 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.061 178.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.498 HG12 ' HA ' ' A' ' 36' ' ' CYS . 71.5 mt -58.33 -45.29 89.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.342 176.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -65.51 -37.49 86.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.336 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.4 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.0 t70 -63.76 -40.96 97.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.855 0.359 . . . . 0.0 110.18 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 86.8 mt -60.42 -41.62 94.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.214 0.53 . . . . 0.0 109.88 175.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.03 -41.97 99.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.795 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.76 -41.72 96.04 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 18' ' ' ASP . 93.9 t -59.77 -41.04 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.034 0.445 . . . . 0.0 110.334 177.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.511 HD22 HG21 ' B' ' 28' ' ' VAL . 85.7 mt -68.28 -42.34 79.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.086 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 86.8 t -69.6 -34.81 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.713 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -55.61 -43.33 75.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.787 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.533 ' HB2' HG13 ' B' ' 28' ' ' VAL . 72.0 mm-40 -90.89 -12.58 35.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.625 -178.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 57.86 47.53 15.09 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -175.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.533 HG13 ' HB2' ' B' ' 26' ' ' GLU . 33.2 m -70.53 147.97 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.974 -174.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.422 HG23 ' H ' ' B' ' 32' ' ' LEU . 4.4 t -84.76 147.93 50.06 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.596 174.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.428 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 60.9 Cg_exo -41.24 -46.43 5.51 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.721 2.947 . . . . 0.0 113.795 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -58.08 -48.65 79.49 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.119 0.485 . . . . 0.0 110.975 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.422 ' H ' HG23 ' B' ' 29' ' ' THR . 62.5 tp -65.87 -39.11 90.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.577 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.72 -51.03 70.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.942 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 91.8 mt -59.2 -42.69 91.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.557 -177.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttp -62.92 -43.03 99.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.019 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 61.9 m -72.98 -47.07 48.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.035 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.561 ' O ' HG23 ' B' ' 41' ' ' VAL . 95.4 mt -63.39 -47.79 80.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.73 -32.07 82.33 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.187 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -68.2 -41.66 81.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 109.71 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.407 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -63.63 -43.67 96.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.856 177.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 37' ' ' LEU . 60.5 t -56.62 -45.3 82.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.303 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.44 HG21 ' HB2' ' A' ' 67' ' ' SER . 91.2 m -58.96 -41.12 86.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.216 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -67.52 -29.58 69.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.037 0.446 . . . . 0.0 110.662 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.407 HG12 ' O ' ' B' ' 40' ' ' ALA . 47.9 mm -74.93 -46.72 39.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.717 177.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.04 -32.48 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.075 0.464 . . . . 0.0 111.195 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.7 -26.24 68.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.328 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -87.03 -3.75 59.11 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -87.57 146.18 38.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.554 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.84 134.61 63.74 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 121.991 1.794 . . . . 0.0 112.065 173.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.587 ' HA ' ' HD3' ' B' ' 53' ' ' ARG . 20.1 tt0 -58.27 -26.19 62.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.445 -175.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 35.3 t -54.14 -29.84 46.74 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.733 0.301 . . . . 0.0 111.38 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.421 ' O ' HG22 ' B' ' 56' ' ' VAL . 0.1 OUTLIER -124.57 20.58 8.64 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.371 -0.206 . . . . 0.0 110.918 -179.482 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.587 ' HD3' ' HA ' ' B' ' 50' ' ' GLU . 0.0 OUTLIER -63.96 -45.16 90.39 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.0 0.429 . . . . 0.0 111.844 -175.222 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.32 -30.41 15.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.13 87.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.137 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.421 HG22 ' O ' ' B' ' 52' ' ' LYS . 17.1 m -65.74 -38.63 82.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -178.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.7 p -76.87 -34.22 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.946 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -45.2 80.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.583 0.23 . . . . 0.0 110.806 177.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.81 -42.32 99.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 110.565 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.56 -53.05 62.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.342 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.462 HG22 HG22 ' A' ' 61' ' ' THR . 29.1 p -65.69 -43.25 89.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.482 -176.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 52.4 tttp -56.55 -55.27 35.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.77 76.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.129 -176.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 tt -70.39 -41.4 73.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.244 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' B' ' 61' ' ' THR . 68.3 mttm -57.99 -48.31 80.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.038 0.447 . . . . 0.0 110.486 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 20.5 mt-30 -62.09 -41.54 98.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.194 -177.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.0 m -68.71 -26.32 65.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.584 -176.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 74.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.433 176.542 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 120.773 0.32 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' A' ' 9' ' ' ASN . 10.5 m120 -57.61 -42.61 83.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.57 -176.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.03 -40.45 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.177 0.298 . . . . 0.0 111.133 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.537 ' O ' HG13 ' A' ' 15' ' ' ILE . 53.5 ttt85 -64.85 -47.95 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.292 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 16' ' ' ILE . 40.4 t -60.31 -45.39 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 110.13 178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -56.83 -45.12 82.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.731 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -62.54 -43.44 98.81 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.081 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 11' ' ' ARG . 76.5 mt -58.02 -42.63 83.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.835 0.35 . . . . 0.0 110.205 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 12' ' ' VAL . 68.1 mt -59.89 -46.16 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.295 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -64.0 -40.75 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.918 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.67 -41.14 94.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.981 0.419 . . . . 0.0 110.76 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.54 HD13 HD23 ' B' ' 37' ' ' LEU . 79.1 mt -62.8 -41.18 99.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.084 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 98.1 mt -65.21 -35.68 81.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.509 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.86 -41.17 77.48 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.253 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.23 -45.94 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.716 176.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.66 -39.56 91.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.253 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.0 t -74.7 -30.38 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.741 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -59.6 -43.42 93.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.179 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -90.13 -16.9 28.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.762 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 56.53 54.67 7.2 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.588 0.709 . . . . 0.0 110.62 -174.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.72 156.65 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.157 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.7 p -79.0 159.75 72.71 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.565 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 70.7 Cg_exo -52.3 -40.38 70.35 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.203 1.936 . . . . 0.0 111.7 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -65.96 -50.18 65.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.839 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.6 tp -59.63 -38.11 80.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.43 77.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.625 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 85.8 mt -62.29 -43.99 97.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.03 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 52.9 ttp -63.31 -41.45 98.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.291 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.0 m -72.69 -49.52 30.89 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.955 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.1 mt -63.13 -50.41 70.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.16 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.17 -36.05 91.79 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.359 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 35' ' ' MET . 14.8 t-20 -67.96 -41.55 82.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.177 0.513 . . . . 0.0 109.815 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.38 93.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.767 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.6 t -58.36 -45.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.189 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.2 m -57.96 -42.96 86.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.931 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -61.26 -36.96 81.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.203 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.52 -46.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.832 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.533 HG21 ' HB ' ' A' ' 57' ' ' VAL . 73.0 mt -63.73 -29.15 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.033 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.12 -22.49 66.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.183 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -86.98 -3.32 59.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 110.624 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.715 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 48.0 t -85.66 136.66 36.74 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.44 133.55 43.57 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.087 1.858 . . . . 0.0 113.014 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.527 ' CD ' HH21 ' A' ' 53' ' ' ARG . 5.4 tp10 -32.99 -52.02 0.32 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.314 -1.312 . . . . 0.0 113.546 -179.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -55.13 -31.47 61.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.292 -172.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.7 6.75 10.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.944 0.402 . . . . 0.0 110.714 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.715 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 23.0 ttp180 -81.83 -37.6 26.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.147 -173.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.19 -35.97 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.311 0.576 . . . . 0.0 110.082 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.71 -49.42 68.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.432 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.37 -37.85 80.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -175.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.533 ' HB ' HG21 ' A' ' 45' ' ' ILE . 11.1 p -70.28 -36.28 66.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 120.753 0.311 . . . . 0.0 111.374 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -77.54 -40.74 41.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.346 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -62.17 -39.85 94.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.476 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -54.47 -57.55 10.9 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.573 0.701 . . . . 0.0 110.263 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.6 HG22 HG22 ' B' ' 61' ' ' THR . 4.0 p -68.66 -35.1 76.79 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.941 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -66.44 -46.79 75.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 110.393 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.92 -30.94 71.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 tt -69.38 -41.19 76.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.225 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.554 ' HD2' HG22 ' B' ' 57' ' ' VAL . 10.9 mmmm -57.6 -44.3 85.34 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.074 0.464 . . . . 0.0 109.967 175.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.06 -42.74 84.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.244 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 p -77.41 -3.82 42.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.441 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.2 t -95.26 -30.86 4.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.955 0.407 . . . . 0.0 110.234 170.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 94.8 mt . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.462 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.415 ' O ' HG23 ' B' ' 12' ' ' VAL . 2.6 p . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -58.06 -37.53 74.61 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.697 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.18 -33.54 74.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.522 ' O ' HG13 ' B' ' 15' ' ' ILE . 68.8 ttt180 -76.81 -45.78 27.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.277 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 8' ' ' SER . 94.1 t -57.19 -46.91 84.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.947 0.403 . . . . 0.0 110.569 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.82 -39.75 90.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.233 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -64.77 -41.48 95.83 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.165 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.7 mt -62.78 -49.21 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.986 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.422 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 68.9 mt -58.63 -44.2 89.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.23 0.538 . . . . 0.0 110.503 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -64.19 -43.89 93.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.586 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.465 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.5 t70 -60.79 -42.75 98.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.785 -177.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.79 -43.1 90.37 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.279 0.561 . . . . 0.0 110.336 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 24' ' ' VAL . 99.2 mt -61.17 -45.8 93.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.123 177.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -56.43 -35.67 68.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.246 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 77.1 t -63.83 -47.85 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.334 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.417 ' C ' HD12 ' B' ' 23' ' ' LEU . 4.2 pp -78.4 -16.51 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.359 -178.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 20' ' ' LEU . 25.6 t -71.48 -40.21 71.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.642 176.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 14.9 pttm -74.43 -22.97 58.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.413 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 39.2 mm-40 -83.6 -23.95 31.7 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.935 174.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 58.67 61.25 2.26 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.841 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.17 149.15 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.295 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.487 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 31.8 p -90.08 168.13 15.31 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.362 174.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.487 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 77.7 Cg_exo -51.0 -47.01 27.64 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.295 1.997 . . . . 0.0 111.916 177.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.07 -46.71 88.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.617 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 48.4 tp -69.74 -39.59 76.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.01 -175.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.6 -50.89 72.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.95 -40.85 98.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.031 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 44.1 ttp -66.72 -41.1 88.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.823 -175.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 21.2 p -76.61 -43.54 38.05 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.858 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 19' ' ' LEU . 92.5 mt -62.53 -41.15 98.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.601 0.239 . . . . 0.0 111.091 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.23 -43.53 97.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.637 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.579 ' HA ' HG22 ' B' ' 42' ' ' THR . 31.9 m-80 -73.2 -23.69 60.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.254 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.99 -32.41 69.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.964 0.411 . . . . 0.0 110.26 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 37' ' ' LEU . 66.0 t -77.28 -45.84 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.769 -177.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.579 HG22 ' HA ' ' B' ' 39' ' ' ASN . 7.8 t -60.49 -33.77 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.93 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -64.77 -32.74 74.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.84 0.352 . . . . 0.0 110.533 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -79.58 -48.26 21.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.809 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.455 HG22 ' HG3' ' B' ' 53' ' ' ARG . 58.5 mt -67.03 -28.51 43.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.482 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.5 -12.5 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -91.35 -13.55 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.351 0.596 . . . . 0.0 110.025 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 47.6 t -81.62 133.79 52.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.607 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.728 ' HB2' ' HD3' ' B' ' 52' ' ' LYS . 84.6 Cg_exo -46.74 130.2 15.09 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.08 2.52 . . . . 0.0 112.601 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.632 ' HG2' ' CZ ' ' B' ' 53' ' ' ARG . 22.1 mt-10 -56.75 -31.65 64.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.989 -173.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -56.43 -28.23 58.89 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.466 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.728 ' HD3' ' HB2' ' B' ' 49' ' ' PRO . 0.0 OUTLIER -125.11 4.14 7.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.801 0.334 . . . . 0.0 110.874 177.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.632 ' CZ ' ' HG2' ' B' ' 50' ' ' GLU . 42.5 ttm180 -64.68 -35.31 80.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.382 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 48.8 t -64.26 -34.69 70.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.764 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.34 -47.89 53.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.327 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.84 -37.08 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -176.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.554 HG22 ' HD2' ' A' ' 65' ' ' LYS . 12.7 p -70.64 -35.48 61.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 110.739 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.81 -45.75 67.22 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -57.38 -44.69 84.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.045 176.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.443 ' CE2' HG11 ' B' ' 41' ' ' VAL . 87.9 t80 -57.32 -54.3 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.582 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.6 HG22 HG22 ' A' ' 61' ' ' THR . 10.2 p -68.21 -35.4 77.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.558 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -61.17 -54.57 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 174.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.22 -33.74 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.15 -49.19 68.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.44 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' B' ' 61' ' ' THR . 62.0 mttm -57.54 -45.97 84.45 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.19 0.519 . . . . 0.0 109.779 176.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -57.5 -49.59 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.348 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.0 m -68.24 -39.25 82.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.75 -174.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 69.4 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.661 0.267 . . . . 0.0 111.193 -178.688 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.6 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -58.49 -34.43 70.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.668 0.271 . . . . 0.0 110.449 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -64.85 -30.16 71.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.821 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 15' ' ' ILE . 54.6 ttt180 -76.77 -35.95 57.37 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 16' ' ' ILE . 60.8 t -58.74 -47.93 87.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 176.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.533 177.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -69.05 -47.88 64.23 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.739 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 11' ' ' ARG . 77.6 mt -58.58 -38.38 70.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.804 0.335 . . . . 0.0 110.663 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.49 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 73.6 mt -62.81 -41.18 91.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.081 175.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.33 -43.1 87.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.86 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -54.17 -48.88 70.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.05 0.452 . . . . 0.0 110.25 175.296 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 90.1 mt -64.76 -45.28 87.04 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.094 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 71.9 mt -61.57 -34.43 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.833 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.58 ' HA ' HG12 ' A' ' 24' ' ' VAL . 17.9 t70 -63.46 -40.99 98.59 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.395 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' B' ' 18' ' ' ASP . 61.1 t -58.02 -40.19 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.508 0.671 . . . . 0.0 110.455 176.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.504 HD22 HG21 ' A' ' 28' ' ' VAL . 84.2 mt -74.52 -37.08 63.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.398 -178.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.58 HG12 ' HA ' ' A' ' 21' ' ' ASP . 2.3 p -77.17 -23.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.339 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 56.4 mttp -52.13 -47.19 65.48 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.242 0.544 . . . . 0.0 109.764 170.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.53 ' HG3' HG12 ' B' ' 15' ' ' ILE . 8.4 mm-40 -98.85 -10.84 22.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.969 -173.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 52.76 53.36 12.28 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.25 0.548 . . . . 0.0 109.803 -172.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.504 HG21 HD22 ' A' ' 23' ' ' LEU . 34.3 m -61.74 148.76 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.166 -174.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.436 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 40.9 p -81.94 164.77 47.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.651 174.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.451 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 71.1 Cg_exo -50.51 -47.33 25.16 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.432 2.088 . . . . 0.0 112.696 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -66.8 -41.76 87.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.836 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' CD1' HG22 ' B' ' 12' ' ' VAL . 50.6 tp -66.36 -42.42 88.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.482 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.64 -55.37 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.105 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.514 HD22 HG13 ' B' ' 41' ' ' VAL . 72.7 mt -64.11 -37.35 87.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.158 -175.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.9 ttp -64.98 -42.43 94.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.933 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.3 m -67.34 -43.68 80.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.46 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.3 mt -61.44 -44.66 96.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.73 -43.07 86.66 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.003 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -67.89 -38.38 82.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.707 0.289 . . . . 0.0 110.623 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.42 -46.27 89.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.768 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 37' ' ' LEU . 54.6 t -60.64 -48.18 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.627 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.1 m -58.85 -37.39 76.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.7 -39.01 92.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.561 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -70.85 -44.9 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.514 HG21 ' HB ' ' A' ' 57' ' ' VAL . 62.2 mt -67.2 -23.95 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.357 0.599 . . . . 0.0 111.059 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.483 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -73.06 -10.39 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.281 178.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -97.38 0.28 47.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.221 0.534 . . . . 0.0 110.461 178.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.544 ' HB ' ' HG3' ' A' ' 53' ' ' ARG . 25.9 t -93.13 132.65 30.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.835 -177.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -61.93 129.24 26.74 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.356 2.037 . . . . 0.0 111.845 174.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HG2' ' H ' ' A' ' 50' ' ' GLU . 11.3 mm-40 -33.17 -44.99 0.13 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.517 1.127 . . . . 0.0 113.891 177.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 t -51.04 -23.15 2.78 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.536 0.523 . . . . 0.0 111.866 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.455 ' HG3' ' CG1' ' A' ' 48' ' ' VAL . 20.9 ptmt -135.26 1.96 2.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.198 176.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.544 ' HG3' ' HB ' ' A' ' 48' ' ' VAL . 20.7 ttm-85 -71.94 -40.95 68.35 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.104 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.3 t -70.71 -34.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.216 0.532 . . . . 0.0 109.841 -178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.33 68.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.341 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.3 m -68.06 -37.29 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.746 HG22 ' HG2' ' B' ' 65' ' ' LYS . 10.1 p -70.7 -39.2 75.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.092 -177.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.56 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 7.2 t70 -74.13 -36.55 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.38 -39.91 92.41 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.259 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -59.13 -49.84 76.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.194 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.579 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 65.5 p -67.46 -29.09 68.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.015 -179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -67.18 -51.34 54.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.738 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.47 77.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 68' ' ' VAL . 22.5 mt -58.2 -55.8 30.33 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.234 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' HD13 ' A' ' 69' ' ' LEU . 97.1 mttt -64.97 -27.54 68.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.883 0.373 . . . . 0.0 111.082 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -71.06 -39.93 71.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.821 0.344 . . . . 0.0 110.58 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 p -80.81 -36.45 31.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.258 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 64' ' ' LEU . 71.2 t -66.01 -28.31 43.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 120.931 0.396 . . . . 0.0 110.906 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 65' ' ' LYS . 9.8 mp . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 121.014 0.435 . . . . 0.0 110.666 174.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.45 ' O ' HG23 ' B' ' 12' ' ' VAL . 26.1 t . . . . . 0 C--O 1.237 0.411 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -61.41 -35.34 77.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -54.18 -48.74 70.62 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.353 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.61 ' O ' HG13 ' B' ' 15' ' ' ILE . 60.1 ttt180 -65.07 -42.78 93.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.51 -177.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 8' ' ' SER . 61.6 t -58.28 -51.63 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.218 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -62.04 -34.73 76.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.593 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' B' ' 14' ' ' LYS . 37.9 ttmt -70.8 -37.94 73.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.961 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.61 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.5 mt -62.7 -45.65 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.077 0.465 . . . . 0.0 110.232 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.53 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 64.6 mt -57.39 -38.24 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.283 177.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.88 -42.66 80.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.106 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.425 ' HB3' HG13 ' A' ' 22' ' ' VAL . 4.2 t70 -63.6 -35.35 80.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.103 0.477 . . . . 0.0 109.813 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.97 -43.67 95.04 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.366 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 97.7 mt -63.65 -43.12 97.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.713 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -50.56 -44.21 56.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.005 0.431 . . . . 0.0 110.602 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.87 -48.97 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.213 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.49 -43.85 96.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.435 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -71.89 -29.46 33.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.676 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -61.26 -38.36 86.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.463 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.672 ' HB2' HG13 ' B' ' 28' ' ' VAL . 52.0 mm-40 -87.99 -19.15 27.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.488 -177.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 60.79 41.9 14.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -173.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.672 HG13 ' HB2' ' B' ' 26' ' ' GLU . 29.5 m -58.3 145.54 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.935 -173.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.566 HG22 ' HD2' ' B' ' 30' ' ' PRO . 0.2 OUTLIER -80.28 148.77 67.79 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.003 173.309 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.6 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 80.5 Cg_exo -46.82 -48.91 13.22 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.724 2.283 . . . . 0.0 113.012 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.28 -44.48 95.33 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.101 0.477 . . . . 0.0 110.62 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.0 tp -64.83 -44.27 90.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.71 83.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.817 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 83.5 mt -61.01 -42.63 98.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.095 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.521 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 53.3 ttp -64.72 -43.2 94.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 70.8 m -73.7 -44.47 56.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.498 0.189 . . . . 0.0 111.392 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.502 ' O ' HG23 ' B' ' 41' ' ' VAL . 95.4 mt -66.73 -46.59 74.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.551 0.215 . . . . 0.0 111.083 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.2 -32.86 85.59 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.261 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' B' ' 35' ' ' MET . 11.0 t-20 -66.94 -34.73 78.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.379 0.609 . . . . 0.0 110.018 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.29 -30.42 66.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.108 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.514 HG13 HD22 ' A' ' 34' ' ' LEU . 91.5 t -68.34 -48.46 72.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.882 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . 0.401 HG22 ' HA ' ' B' ' 39' ' ' ASN . 15.3 t -71.65 -19.13 62.14 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.92 -176.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -69.84 -43.83 71.15 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.23 -41.75 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.61 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.34 -25.67 35.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.411 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.73 -16.78 61.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.879 0.371 . . . . 0.0 111.159 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -85.81 -24.54 26.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.521 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.537 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 35.6 m -95.42 161.73 26.92 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.254 178.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' B' ' 48' ' ' VAL . 38.6 Cg_endo -67.53 153.42 76.49 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.81 2.34 . . . . 0.0 112.813 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.96 -30.43 61.71 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.102 -177.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -60.27 -16.17 31.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.518 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -112.66 -22.38 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.107 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' B' ' 49' ' ' PRO . 99.1 mtt180 -59.16 -59.71 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.822 -175.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.1 -36.93 77.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.239 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.13 -53.84 43.21 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.846 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.25 -46.71 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.638 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.92 -35.86 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.79 -175.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' B' ' 62' ' ' LYS . 38.6 t70 -70.42 -39.37 74.45 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.576 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -69.78 -40.7 75.89 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.237 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.18 -53.8 53.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.102 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.579 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 28.2 p -64.29 -44.28 92.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.606 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 58' ' ' ASP . 11.7 ttmm -58.64 -53.27 60.23 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.89 178.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.09 93.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.2 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 68' ' ' VAL . 2.1 mt -50.81 -58.77 5.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.381 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.746 ' HG2' HG22 ' A' ' 57' ' ' VAL . 53.3 mtmt -65.92 -36.39 83.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.563 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.431 ' HA ' ' OE1' ' B' ' 66' ' ' GLN . 15.7 mm-40 -68.93 -39.42 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.685 0.279 . . . . 0.0 111.119 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 24.8 m -68.47 -34.69 76.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.921 0.391 . . . . 0.0 110.703 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 64' ' ' LEU . 78.6 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.461 176.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 12' ' ' VAL . 43.7 t . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.96 -35.27 74.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.019 0.438 . . . . 0.0 110.641 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 9.1 mp0 -61.69 -36.69 81.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.1 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -72.67 -36.87 68.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.161 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 8' ' ' SER . 58.2 t -61.11 -50.16 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.087 176.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -56.39 -35.39 67.69 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.038 177.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -64.59 -51.71 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 178.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.429 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 78.5 mt -62.23 -38.89 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -176.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.503 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 79.8 mt -59.74 -42.11 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 110.005 175.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -62.42 -45.86 91.21 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.533 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -60.54 -40.67 92.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.487 HD13 HD23 ' B' ' 37' ' ' LEU . 96.8 mt -67.59 -40.29 84.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 178.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 93.5 mt -61.86 -39.42 91.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.185 177.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -34.39 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.219 178.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.03 -47.64 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.277 0.56 . . . . 0.0 110.064 174.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.28 -42.94 99.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.914 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.94 -36.51 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.048 0.451 . . . . 0.0 110.993 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -62.11 -31.36 71.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.287 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.623 ' HB2' HG13 ' A' ' 28' ' ' VAL . 54.0 mm-40 -98.0 -16.75 19.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.264 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.81 43.44 25.05 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.118 0.485 . . . . 0.0 110.498 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.623 HG13 ' HB2' ' A' ' 26' ' ' GLU . 26.8 m -64.63 137.54 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.879 -176.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.7 p -78.41 162.25 66.91 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.127 175.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.477 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 83.8 Cg_exo -46.25 -56.88 2.56 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.072 2.515 . . . . 0.0 113.296 -178.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.03 -45.86 86.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.87 -44.23 93.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.696 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.09 86.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.266 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.9 mt -59.58 -44.62 93.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 -178.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.8 ttp -64.61 -30.01 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.199 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.547 ' HA ' HG12 ' B' ' 16' ' ' ILE . 64.0 m -82.32 -47.9 11.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.861 0.362 . . . . 0.0 110.954 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.592 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.5 mt -63.92 -50.27 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.508 -177.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.69 -30.7 78.44 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.51 -42.37 74.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.143 0.496 . . . . 0.0 109.797 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.87 95.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.646 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 37' ' ' LEU . 57.6 t -58.77 -52.05 64.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.089 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.8 m -60.24 -35.71 76.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.325 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -64.41 -38.48 91.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.344 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.8 tt -85.11 -25.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.181 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 41' ' ' VAL . 72.3 mt -64.93 -30.54 50.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.143 0.497 . . . . 0.0 109.766 173.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.55 -8.13 55.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.076 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -92.08 -9.78 41.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.455 0.645 . . . . 0.0 109.319 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.0 t -92.98 139.79 23.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.387 177.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.63 139.48 47.81 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.757 2.305 . . . . 0.0 112.504 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.532 ' HA ' ' HG3' ' A' ' 53' ' ' ARG . 43.6 mt-10 -56.36 -26.48 52.9 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.06 -177.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 t -48.08 -40.83 24.47 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.48 0.488 . . . . 0.0 111.374 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -123.37 15.51 9.7 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.532 ' HG3' ' HA ' ' A' ' 50' ' ' GLU . 94.2 mtt180 -61.06 -40.85 95.23 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.922 0.391 . . . . 0.0 110.638 178.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -69.48 -38.37 76.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.434 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.93 79.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.544 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.13 -37.53 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.8 p -75.18 -32.72 26.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.136 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.17 -33.73 61.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.843 0.354 . . . . 0.0 110.455 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -69.5 -32.79 71.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.994 0.426 . . . . 0.0 110.276 174.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.38 -50.34 65.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.923 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.7 p -65.52 -31.78 73.03 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -57.81 -57.16 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.754 174.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.2 88.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.462 -177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.4 mt -55.78 -57.27 12.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.301 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -56.92 -39.14 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -70.43 -34.51 72.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.694 -176.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 t -89.1 -10.91 45.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.84 0.352 . . . . 0.0 111.321 -176.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.3 t -92.92 -44.53 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.899 177.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.188 178.228 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.44 ' O ' HG23 ' B' ' 12' ' ' VAL . 16.8 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -60.0 -41.63 92.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -173.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.82 -40.96 76.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.32 176.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.575 ' O ' HG13 ' B' ' 15' ' ' ILE . 78.1 ttt180 -68.84 -42.74 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.518 178.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 8' ' ' SER . 96.6 t -55.23 -46.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.923 0.392 . . . . 0.0 110.481 178.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -65.37 -35.47 81.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.01 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -69.88 -26.14 64.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.004 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.575 HG13 ' O ' ' B' ' 11' ' ' ARG . 79.1 mt -68.64 -47.01 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.547 HG12 ' HA ' ' A' ' 36' ' ' CYS . 52.5 mt -58.94 -44.75 91.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.854 174.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.482 ' HA ' HD12 ' B' ' 20' ' ' LEU . 18.3 tm0? -67.44 -32.06 72.67 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.413 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.55 -35.89 78.04 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 85.3 mt -61.42 -45.65 93.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.605 172.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' B' ' 17' ' ' GLN . 85.5 mt -62.14 -36.95 83.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.661 177.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.449 ' HA ' HG12 ' B' ' 24' ' ' VAL . 26.2 t70 -63.79 -35.91 82.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.737 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 93.3 t -73.32 -37.26 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.085 0.469 . . . . 0.0 110.114 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.565 HD22 HG21 ' B' ' 28' ' ' VAL . 90.8 mt -63.12 -39.46 94.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.631 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' B' ' 21' ' ' ASP . 10.4 p -83.73 -25.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.707 0.289 . . . . 0.0 110.38 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -53.7 -47.58 70.35 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.1 0.476 . . . . 0.0 110.487 172.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.51 -10.97 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.406 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 54.11 66.93 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.51 -173.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.565 HG21 HD22 ' B' ' 23' ' ' LEU . 19.8 m -76.94 173.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.602 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.52 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 25.6 p -111.37 166.99 9.73 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.76 176.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.52 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 7.1 Cg_endo -50.35 -49.75 15.54 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.768 2.312 . . . . 0.0 112.419 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.17 -51.22 65.02 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.677 0.751 . . . . 0.0 110.363 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -67.87 -39.21 83.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.827 -173.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.37 -50.18 70.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.182 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.45 -44.61 92.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.726 0.298 . . . . 0.0 111.163 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 42.7 ttp -63.96 -38.41 90.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.44 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m -77.09 -47.66 19.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.673 0.273 . . . . 0.0 110.999 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.609 ' O ' HG23 ' B' ' 41' ' ' VAL . 94.8 mt -61.95 -49.62 75.4 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.998 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.84 -31.43 75.85 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.412 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.81 -45.27 78.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.235 0.54 . . . . 0.0 109.7 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.87 95.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.742 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 37' ' ' LEU . 55.7 t -58.03 -49.99 79.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 121.177 0.513 . . . . 0.0 109.83 177.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.1 m -63.3 -33.26 75.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.145 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -63.47 -48.29 78.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.742 177.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.36 -41.85 93.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.239 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 41' ' ' VAL . 69.6 mt -62.89 -31.39 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.237 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.92 -14.31 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.873 0.368 . . . . 0.0 111.247 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -93.38 -3.03 54.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.554 0.693 . . . . 0.0 110.128 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.515 ' O ' ' HD3' ' B' ' 53' ' ' ARG . 48.6 t -85.53 140.63 36.05 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.578 178.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.86 145.66 90.74 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.091 1.86 . . . . 0.0 112.028 175.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . 0.446 ' CD ' HH21 ' B' ' 53' ' ' ARG . 5.2 tp10 -55.91 -32.45 63.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.379 -170.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 31.0 t -55.65 -47.78 76.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.418 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.433 ' HG3' ' CG1' ' B' ' 48' ' ' VAL . 18.2 ptpt -106.34 -1.8 22.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.357 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ARG . . . . . 0.515 ' HD3' ' O ' ' B' ' 48' ' ' VAL . 24.5 ttp180 -62.0 -37.56 85.3 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 111.525 -175.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.15 -35.39 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.468 0.651 . . . . 0.0 110.016 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.72 -44.95 72.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.565 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.08 -39.05 84.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.449 ' HB ' HD13 ' B' ' 45' ' ' ILE . 7.2 p -70.87 -36.54 64.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.698 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.25 -44.59 71.64 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.57 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -61.58 -37.03 82.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.231 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.59 -54.54 44.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.156 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 41.4 p -63.11 -36.55 83.98 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.254 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -63.06 -49.31 75.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.467 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.67 88.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.147 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -56.19 -54.55 43.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.333 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -56.92 -42.56 80.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.008 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -69.24 -32.91 72.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.344 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.8 m -79.24 -23.32 43.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.71 -177.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 120.907 0.384 . . . . 0.0 110.408 176.83 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.79 45.82 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.328 2.685 . . . . 0.0 112.68 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.444 HG23 ' HB2' ' A' ' 6' ' ' LYS . 41.7 mm -117.54 125.6 74.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.843 -176.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.7 m -107.62 -27.18 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.071 173.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -150.04 -40.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.81 176.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' HB2' HG23 ' A' ' 3' ' ' ILE . 61.8 tttp 73.16 -61.51 0.5 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.335 0.654 . . . . 0.0 111.318 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -83.5 144.87 29.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.103 0.478 . . . . 0.0 111.241 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.6 p -80.48 142.52 34.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.94 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -58.97 -36.01 74.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.767 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -52.24 -48.98 64.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.259 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.5 ttt180 -66.98 -40.17 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.24 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 8' ' ' SER . 78.0 t -54.96 -50.53 61.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.742 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.92 -39.16 93.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.673 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -64.65 -37.55 87.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.01 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 11' ' ' ARG . 95.8 mt -65.73 -46.13 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.149 176.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.494 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 70.9 mt -59.2 -41.82 85.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.048 0.451 . . . . 0.0 109.915 176.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -57.47 -49.13 77.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.864 177.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.5 -38.46 91.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.563 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 96.1 mt -59.77 -41.92 92.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 175.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 24' ' ' VAL . 95.8 mt -63.4 -43.92 96.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.208 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.51 -40.46 75.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.732 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 73.6 t -58.64 -53.29 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.513 175.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.09 -39.13 91.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.483 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 20' ' ' LEU . 99.5 t -68.07 -41.84 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.556 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 14.6 pttm -70.84 -19.61 62.63 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.79 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 22' ' ' VAL . 57.8 mm-40 -88.88 -11.92 43.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.313 176.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 49.84 64.25 1.85 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.444 -170.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.466 HG13 ' HB2' ' A' ' 26' ' ' GLU . 34.2 m -80.95 151.14 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.663 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.545 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 31.1 p -97.86 167.62 11.41 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.246 173.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.545 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 10.0 Cg_endo -53.85 -44.21 51.25 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.112 1.875 . . . . 0.0 111.69 175.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.31 -54.34 46.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.422 0.629 . . . . 0.0 110.014 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.35 -41.94 88.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.192 -175.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.16 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.942 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.09 -39.87 95.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.7 ttp -64.3 -43.99 93.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.353 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.0 m -70.42 -46.42 63.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.602 0.239 . . . . 0.0 111.221 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 41' ' ' VAL . 89.6 mt -62.51 -38.26 89.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.065 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.95 -46.05 91.45 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.508 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -69.62 -35.71 75.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.78 0.324 . . . . 0.0 110.639 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -62.83 -48.41 79.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.42 177.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.8 t -61.91 -43.15 97.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.726 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -56.52 -41.42 76.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.974 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.54 -32.63 72.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.884 0.374 . . . . 0.0 110.663 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 40' ' ' ALA . 46.2 mm -68.93 -44.4 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.073 0.463 . . . . 0.0 110.247 177.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 41' ' ' VAL . 59.1 mt -68.55 -20.91 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.479 0.657 . . . . 0.0 110.344 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.615 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -74.89 -10.66 59.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.91 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -93.89 -6.28 46.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.15 0.5 . . . . 0.0 110.004 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.0 t -96.91 127.48 38.93 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.187 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -52.46 136.33 56.21 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.983 2.455 . . . . 0.0 112.901 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.761 ' HG3' HH21 ' A' ' 53' ' ' ARG . 7.9 mt-10 -53.0 -21.87 4.97 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.2 t -65.69 -19.71 66.01 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.681 0.276 . . . . 0.0 111.399 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -139.69 11.31 2.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 111.075 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.761 HH21 ' HG3' ' A' ' 50' ' ' GLU . 12.9 ttm180 -70.39 -37.74 74.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.124 -173.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.4 t -75.52 -28.31 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.251 0.548 . . . . 0.0 109.857 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.78 -45.6 64.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.849 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.4 m -69.06 -38.16 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.744 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.5 p -71.03 -31.68 45.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.779 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -72.14 -43.09 65.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.697 0.284 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -67.28 -36.29 81.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.729 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.46 ' CE2' HG11 ' A' ' 41' ' ' VAL . 81.5 t80 -58.12 -56.09 26.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.287 0.565 . . . . 0.0 110.064 174.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.533 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 22.7 p -63.83 -38.25 90.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.447 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.98 -49.06 79.16 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.61 76.37 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.324 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 68' ' ' VAL . 21.3 mt -58.28 -58.07 10.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 176.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -64.26 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.094 -177.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -60.93 -51.23 70.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.862 0.363 . . . . 0.0 110.587 173.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 m -63.02 -39.65 95.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.321 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 64' ' ' LEU . 71.2 t -61.39 -40.75 87.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.359 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 mp -81.66 -30.17 32.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.371 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -73.49 -40.15 64.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.974 0.416 . . . . 0.0 111.573 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -88.86 70.93 8.66 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.978 0.418 . . . . 0.0 112.014 -170.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -93.76 -57.14 2.65 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 168.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -91.6 173.05 8.09 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 168.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.552 ' O ' ' HB2' ' A' ' 75' ' ' HIS . 13.7 t-80 -53.25 -72.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.136 0.272 . . . . 0.0 110.344 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.552 ' HB2' ' O ' ' A' ' 74' ' ' HIS . 1.4 t-80 165.38 -48.72 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 178.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 . . . . . 0 C--N 1.319 -0.742 0 CA-C-N 114.044 -1.434 . . . . 0.0 107.687 170.894 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.841 ' HB3' ' HD3' ' B' ' 2' ' ' PRO . 27.4 ttt . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 119.727 -0.178 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.841 ' HD3' ' HB3' ' B' ' 1' ' ' MET . 18.5 Cg_endo -91.89 133.82 1.4 Allowed 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.294 1.996 . . . . 0.0 112.307 176.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.6 tp -84.02 108.16 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.456 0.646 . . . . 0.0 109.81 176.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -63.74 132.55 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.996 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -104.32 56.36 0.72 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.701 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.14 -25.35 64.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.705 -175.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -129.69 162.36 28.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.596 0.236 . . . . 0.0 110.674 -171.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.506 ' O ' HG23 ' B' ' 12' ' ' VAL . 6.5 m -71.13 128.79 37.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.214 179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -61.59 -37.59 84.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.242 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' B' ' 10' ' ' GLU . 1.8 mp0 -55.93 -50.99 69.2 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.437 ' O ' HG13 ' B' ' 15' ' ' ILE . 21.4 ttt180 -59.09 -43.38 91.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.893 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 8' ' ' SER . 88.5 t -57.79 -54.1 36.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.152 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.518 ' HA ' HD12 ' B' ' 16' ' ' ILE . 47.7 mt-10 -70.09 -26.53 64.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.553 -177.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -67.31 -44.56 78.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 110.406 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.437 HG13 ' O ' ' B' ' 11' ' ' ARG . 80.1 mt -61.44 -40.27 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.218 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' B' ' 13' ' ' GLU . 67.0 mt -57.95 -43.88 85.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.014 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.67 -46.34 79.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.097 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.403 ' O ' HG23 ' B' ' 22' ' ' VAL . 26.0 t70 -63.14 -32.8 74.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.969 -177.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.05 -43.8 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.13 0.49 . . . . 0.0 110.197 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 96.8 mt -64.03 -33.81 76.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.511 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.568 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 2.6 m-20 -58.41 -45.68 87.93 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.327 175.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 18' ' ' ASP . 49.1 t -56.55 -44.69 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.229 0.537 . . . . 0.0 110.433 177.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.476 HD22 HG21 ' B' ' 28' ' ' VAL . 86.1 mt -67.92 -33.92 75.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.555 -177.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' B' ' 21' ' ' ASP . 9.2 p -83.62 -25.41 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 121.081 -0.247 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' B' ' 21' ' ' ASP . 96.3 mttt -62.38 -34.85 77.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.972 0.415 . . . . 0.0 110.346 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -98.45 -7.91 27.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.887 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 50.5 49.21 21.19 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.485 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.476 HG21 HD22 ' B' ' 23' ' ' LEU . 21.5 m -64.2 151.93 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.703 -175.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 82.7 p -81.58 159.6 66.41 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.716 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.6 -45.61 36.82 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.599 2.2 . . . . 0.0 112.228 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.57 -45.06 95.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 tp -66.06 -45.49 81.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.714 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.34 80.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.072 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.64 -40.97 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.2 ttp -67.42 -44.07 79.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.106 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 91.1 m -67.13 -46.89 72.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.133 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.572 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.0 mt -64.29 -40.53 96.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.779 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.67 -41.3 93.67 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.748 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -69.97 -37.01 75.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.734 0.302 . . . . 0.0 110.636 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.33 94.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.611 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 37' ' ' LEU . 63.0 t -60.94 -48.97 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.431 177.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 38.0 m -58.56 -40.16 82.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.323 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 48.2 t-20 -58.21 -44.63 88.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 110.184 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mm -67.75 -42.26 86.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.523 HD13 ' HB ' ' B' ' 57' ' ' VAL . 70.2 mt -65.72 -29.53 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.019 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.54 -22.34 63.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.047 0.451 . . . . 0.0 110.607 177.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.9 mt-30 -86.38 -5.95 59.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.283 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 28.7 t -94.14 135.65 24.35 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.97 140.51 58.89 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.102 2.534 . . . . 0.0 112.499 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' B' ' 53' ' ' ARG . 42.8 tt0 -58.32 -31.5 67.6 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -171.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 43.3 t -53.45 -33.34 53.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 0.0 111.183 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.84 3.11 10.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.775 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.479 ' CB ' ' HA ' ' B' ' 50' ' ' GLU . 41.8 ttm180 -64.1 -41.11 97.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.033 -176.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -73.83 -30.59 28.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.287 0.565 . . . . 0.0 110.215 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.65 -44.85 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.233 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.88 -38.3 81.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.523 ' HB ' HD13 ' B' ' 45' ' ' ILE . 7.7 p -71.15 -38.03 69.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.839 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.01 -47.45 74.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.279 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.88 -36.77 82.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.391 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.9 -53.92 52.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.978 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.533 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 41.1 p -64.5 -39.22 93.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.503 -178.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 87.6 tttt -61.35 -52.04 66.29 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.071 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.39 -32.73 74.29 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.222 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.465 ' O ' HG23 ' B' ' 68' ' ' VAL . 0.7 OUTLIER -57.24 -47.26 81.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.598 176.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -65.14 -34.95 79.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 23.0 mt-30 -62.15 -46.51 88.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 7.2 p -70.83 -35.41 72.45 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -175.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 64' ' ' LEU . 82.9 t -64.93 -39.39 85.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 111.274 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.88 -10.88 59.94 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' B' ' 66' ' ' GLN . 41.0 mm-40 -94.52 13.24 24.66 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -82.67 -31.92 28.43 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.006 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -111.15 30.52 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.208 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -55.53 -56.2 22.98 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.414 0.446 . . . . 0.0 111.525 -173.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -137.74 41.55 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.759 0.79 . . . . 0.0 110.016 174.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -124.53 172.25 9.35 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.745 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.869 -0.586 . . . . 0.0 109.468 178.842 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.411 ' HG2' HG22 ' A' ' 3' ' ' ILE . 1.5 pmm? . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.51 91.87 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.953 2.435 . . . . 0.0 113.167 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.615 HD11 ' HA ' ' A' ' 7' ' ' TYR . 17.5 tt -171.81 119.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.11 175.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.0 m -89.31 179.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.976 -172.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 13.6 m -65.07 99.66 0.38 Allowed 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.102 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 5' ' ' SER . 35.0 ttpt 165.44 -41.04 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.615 ' HA ' HD11 ' A' ' 3' ' ' ILE . 90.5 m-85 49.92 -144.53 0.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 113.35 -1.75 . . . . 0.0 110.976 -178.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.4 t -145.82 144.83 30.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -56.83 -32.63 65.94 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 123.328 0.393 . . . . 0.0 110.165 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -63.29 -40.61 97.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.481 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' O ' HG13 ' A' ' 15' ' ' ILE . 67.1 ttt180 -79.34 -39.07 33.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.712 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 16' ' ' ILE . 84.0 t -60.66 -41.0 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -55.18 -46.28 75.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.243 173.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -60.03 -45.91 91.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.583 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 11' ' ' ARG . 68.4 mt -61.83 -46.78 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.662 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 12' ' ' VAL . 75.9 mt -59.16 -46.78 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.391 . . . . 0.0 110.316 176.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -64.37 -37.14 86.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.827 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.413 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.1 t0 -70.53 -37.71 74.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.984 0.421 . . . . 0.0 110.042 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.77 -46.49 81.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.311 174.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 97.8 mt -64.29 -33.17 75.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.466 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.66 -34.91 78.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.408 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 18' ' ' ASP . 87.7 t -66.04 -42.68 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.121 0.486 . . . . 0.0 110.18 174.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.44 -33.4 75.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.663 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.7 t -80.8 -32.26 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.014 0.435 . . . . 0.0 110.638 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -55.32 -40.62 71.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.072 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' HG3' HG12 ' B' ' 15' ' ' ILE . 30.5 mm-40 -89.35 -22.89 22.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.972 176.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 56.64 75.04 0.37 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.708 -166.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.4 HG13 ' HB2' ' A' ' 26' ' ' GLU . 27.8 m -89.14 152.0 3.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.278 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.5 p -79.76 156.9 74.9 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -49.0 -42.54 38.12 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.411 2.074 . . . . 0.0 112.122 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -63.52 -51.13 66.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' HB2' ' CE1' ' B' ' 7' ' ' TYR . 62.4 tp -62.54 -39.68 94.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.817 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.42 -55.03 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.0 -40.52 89.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.792 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.4 ttp -62.13 -45.56 92.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.065 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.7 m -67.83 -45.69 73.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.602 0.239 . . . . 0.0 110.789 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.7 mt -61.13 -42.79 99.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.894 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.85 -43.22 94.83 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.693 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -69.61 -35.47 75.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.668 0.271 . . . . 0.0 110.539 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.19 82.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.691 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 37' ' ' LEU . 57.3 t -60.26 -48.8 86.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.292 177.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 46.1 m -59.4 -37.4 77.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.1 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.56 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 43.5 t30 -60.19 -43.39 95.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.756 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -68.17 -43.05 85.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.216 0.531 . . . . 0.0 110.269 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.537 HG22 ' HG3' ' A' ' 53' ' ' ARG . 59.3 mt -68.72 -26.53 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.486 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.16 -16.35 59.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.786 0.327 . . . . 0.0 111.331 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 77.2 mt-30 -85.77 -34.77 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.864 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 45' ' ' ILE . 31.5 m -72.35 150.01 91.62 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.48 145.13 98.88 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.588 2.192 . . . . 0.0 111.203 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.685 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 15.4 tt0 -67.43 -8.72 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.083 0.468 . . . . 0.0 111.334 -174.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -61.94 -29.44 70.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.806 174.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' HG22 ' A' ' 56' ' ' VAL . 29.5 mtpp -111.61 -19.68 12.42 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.094 0.473 . . . . 0.0 110.404 177.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.685 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 41.0 ttm180 -57.37 -41.13 79.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.956 -168.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.67 -35.67 18.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.211 0.529 . . . . 0.0 110.719 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.06 -42.93 72.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.121 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 52' ' ' LYS . 23.9 m -67.83 -35.88 73.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.4 p -74.39 -35.34 39.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.936 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.71 -43.09 80.89 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.206 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -65.71 -39.52 91.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -57.8 -55.5 34.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.406 0.622 . . . . 0.0 110.287 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.626 ' OG1' ' HE3' ' B' ' 65' ' ' LYS . 23.0 p -66.55 -40.75 89.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.618 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -59.22 -44.62 92.29 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.777 0.322 . . . . 0.0 110.771 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 66' ' ' GLN . . . -63.5 -42.1 98.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.001 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -55.1 -51.96 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.734 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.15 -48.52 76.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.549 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -76.12 -19.71 58.27 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -174.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.0 m -87.81 -21.97 24.77 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.221 0.534 . . . . 0.0 110.797 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -93.34 -48.79 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.436 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.62 -45.01 94.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.663 0.268 . . . . 0.0 110.76 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -94.29 89.53 5.96 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.39 -71.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.088 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.5 t60 65.05 -76.87 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -171.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 178.88 -74.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 175.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -165.26 -166.41 1.0 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 172.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -109.69 -27.9 9.11 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 168.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.4 m170 . . . . . 0 C--O 1.247 0.971 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.497 175.492 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.43 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 94.0 mtp . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 7.1 Cg_exo -72.75 -4.12 14.77 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.221 2.614 . . . . 0.0 112.814 -176.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.6 mt -63.7 129.45 27.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 60.4 t -69.02 -73.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.335 -172.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 56.1 m 57.97 -91.08 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 O-C-N 123.292 0.37 . . . . 0.0 110.834 -171.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.419 ' HB3' ' HE2' ' B' ' 6' ' ' LYS . 36.8 mtpt -134.43 19.26 3.64 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 175.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 84.7 m-85 62.85 -161.97 0.29 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.867 -176.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.483 ' O ' HG23 ' B' ' 12' ' ' VAL . 11.7 p -144.3 129.44 18.65 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -62.15 -22.31 65.75 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.897 0.38 . . . . 0.0 110.655 -177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -62.08 -53.85 49.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.873 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.506 ' O ' HG13 ' B' ' 15' ' ' ILE . 66.8 ttt180 -71.88 -37.83 70.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.274 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 8' ' ' SER . 96.6 t -59.18 -53.0 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.717 0.294 . . . . 0.0 111.023 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -71.72 -26.88 62.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.119 0.485 . . . . 0.0 110.048 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.47 -49.19 78.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.462 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.9 mt -60.19 -45.95 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.558 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.514 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 73.4 mt -56.89 -45.19 83.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.367 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.96 -47.23 84.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.874 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -63.56 -34.77 78.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.08 0.467 . . . . 0.0 110.398 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.4 mt -67.11 -39.11 86.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.597 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 94.2 mt -65.03 -34.44 78.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.27 177.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.94 -39.58 92.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.488 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.71 -41.19 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.08 0.466 . . . . 0.0 110.669 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.34 -44.96 89.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.254 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p -76.73 -24.62 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.702 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -60.34 -38.83 85.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.861 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.48 ' HB2' HG13 ' B' ' 28' ' ' VAL . 70.8 mm-40 -94.63 -9.58 34.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.035 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 55.95 48.92 16.9 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.129 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.48 HG13 ' HB2' ' B' ' 26' ' ' GLU . 24.6 m -71.43 152.56 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.411 -177.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 19.1 p -82.46 160.33 62.28 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.83 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -53.48 -37.2 82.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.361 2.041 . . . . 0.0 111.934 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.59 -50.23 65.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.343 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.469 HD22 ' CZ ' ' A' ' 7' ' ' TYR . 57.9 tp -63.34 -38.83 92.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.771 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.26 -57.01 13.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.77 -39.09 93.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.019 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 57.2 ttp -64.39 -41.49 96.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.22 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -70.58 -41.82 71.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.592 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 41' ' ' VAL . 94.0 mt -61.87 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.752 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.28 -42.67 95.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.427 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -65.72 -39.91 91.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.615 0.245 . . . . 0.0 110.944 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.408 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -62.42 -48.09 81.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 37' ' ' LEU . 78.6 t -57.9 -47.99 85.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.676 178.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.1 m -57.95 -40.52 80.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.258 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 10.5 t30 -66.83 -33.76 76.32 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.855 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.408 HG12 ' O ' ' B' ' 40' ' ' ALA . 46.2 mm -70.33 -45.88 73.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 0.0 110.327 177.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.521 HG22 ' HG3' ' B' ' 53' ' ' ARG . 63.7 mt -66.69 -26.04 36.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.7 -13.41 61.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.401 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 70.9 mt-30 -89.34 -5.91 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.362 0.601 . . . . 0.0 110.012 177.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 22.6 t -100.45 125.75 38.2 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.296 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -51.9 143.99 37.57 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.822 2.348 . . . . 0.0 112.283 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.574 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 40.8 mt-10 -55.94 -26.12 46.44 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -175.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.413 ' HB3' ' HD2' ' B' ' 52' ' ' LYS . 47.0 t -50.03 -34.41 21.27 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.538 0.524 . . . . 0.0 111.431 177.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -132.12 15.97 4.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.087 0.47 . . . . 0.0 110.523 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.574 ' HB3' ' HA ' ' B' ' 50' ' ' GLU . 43.5 ttm180 -74.62 -36.5 62.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.621 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.62 -38.85 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.138 0.494 . . . . 0.0 109.81 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -48.32 82.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.28 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 31.0 m -68.05 -39.9 82.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 p -71.32 -37.87 67.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.002 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.21 -46.85 75.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.63 -42.07 82.62 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.742 177.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.17 -51.51 69.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.518 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.406 HG22 HG22 ' A' ' 61' ' ' THR . 34.5 p -67.18 -34.58 77.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.723 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -64.44 -45.32 87.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.76 91.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 28.0 mt -55.38 -57.61 11.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.292 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.626 ' HE3' ' OG1' ' A' ' 61' ' ' THR . 88.0 mttt -59.97 -34.32 73.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.862 -175.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' B' ' 70' ' ' GLU . 49.6 tt0 -70.99 -51.56 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.187 177.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 12.8 t -61.48 -38.77 88.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -175.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 76.6 t -66.85 -45.02 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.266 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 mp -73.03 -27.11 61.57 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.389 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.559 ' HB3' ' CD2' ' B' ' 72' ' ' HIS . 93.9 mt-10 -71.42 -34.45 70.32 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 171.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 25.8 p80 38.53 89.44 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.736 1.214 . . . . 0.0 113.086 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' B' ' 70' ' ' GLU . 29.4 p80 -164.25 171.32 15.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.497 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' B' ' 74' ' ' HIS . 82.5 m-70 -90.74 160.33 15.87 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' B' ' 73' ' ' HIS . 59.4 m-70 66.56 -172.57 0.19 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.359 0.412 . . . . 0.0 110.136 -172.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -111.91 19.77 17.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.33 -0.231 . . . . 0.0 110.876 -177.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 . . . . . 0 C--O 1.246 0.885 0 C-N-CA 124.81 1.244 . . . . 0.0 111.495 -179.702 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.472 0.177 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.04 133.36 43.79 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.421 2.081 . . . . 0.0 111.128 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -80.78 50.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.158 0.504 . . . . 0.0 111.52 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.447 ' HB ' ' H ' ' A' ' 5' ' ' SER . 11.3 t -116.16 -94.9 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.447 ' H ' ' HB ' ' A' ' 4' ' ' VAL . 19.6 m 49.36 41.04 19.89 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.749 0.655 . . . . 0.0 111.695 176.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -72.31 96.52 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.242 0.544 . . . . 0.0 110.686 -177.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.436 ' CE2' ' HB2' ' B' ' 32' ' ' LEU . 13.3 p90 -82.48 157.02 23.77 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.566 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 m -97.82 158.98 15.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.883 175.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -62.39 -28.61 69.9 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.69 0.281 . . . . 0.0 111.194 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.13 -39.6 86.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.334 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.483 ' O ' HG13 ' A' ' 15' ' ' ILE . 61.5 ttt180 -72.75 -37.02 67.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.169 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 16' ' ' ILE . 58.8 t -55.24 -50.25 66.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.557 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 16' ' ' ILE . 31.6 tt0 -70.54 -29.92 66.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.688 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.18 -45.89 89.85 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.29 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 11' ' ' ARG . 62.3 mt -63.83 -37.86 80.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.358 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 13' ' ' GLU . 71.0 mt -59.15 -47.89 88.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.029 0.442 . . . . 0.0 109.908 175.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -61.86 -44.09 97.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.528 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -45.51 77.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.586 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 90.1 mt -65.06 -42.63 94.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.865 178.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.7 mt -60.62 -42.08 96.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.695 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.42 -37.38 80.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.5 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.96 -37.23 83.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.02 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -79.17 -32.69 15.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.839 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -58.44 -40.79 83.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.169 0.509 . . . . 0.0 110.659 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 28' ' ' VAL . 13.7 mm-40 -86.29 -21.37 27.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.06 178.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 58.38 66.82 1.02 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.506 -173.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 26' ' ' GLU . 23.8 m -92.24 166.19 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.746 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -89.65 161.73 38.29 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.473 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 51.8 Cg_exo -55.28 -44.28 50.49 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.277 1.985 . . . . 0.0 111.691 177.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.88 -46.25 90.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.668 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.605 HD11 HG22 ' B' ' 12' ' ' VAL . 63.0 tp -65.44 -42.05 92.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.761 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.28 -48.45 78.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.9 mt -59.65 -45.88 90.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.18 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.5 ttp -61.05 -41.24 96.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.9 m -69.21 -48.7 61.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.85 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.9 mt -58.58 -42.67 88.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.756 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.82 -47.93 82.21 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.278 -0.487 . . . . 0.0 112.745 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -69.69 -32.76 71.54 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.888 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.8 85.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.896 0.379 . . . . 0.0 110.264 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 37' ' ' LEU . 88.6 t -59.9 -46.68 93.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.255 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.51 HG23 HG22 ' B' ' 68' ' ' VAL . 43.2 m -60.45 -26.92 67.12 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.32 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -73.45 -45.07 56.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.506 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -65.78 -41.06 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.039 0.447 . . . . 0.0 110.825 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.608 HG22 ' HG3' ' A' ' 53' ' ' ARG . 58.9 mt -71.08 -17.04 19.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.916 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.42 -6.66 59.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 110.983 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -87.11 -10.3 53.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.1 m -105.7 155.3 38.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.681 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.11 140.03 80.45 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.895 2.397 . . . . 0.0 111.481 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.683 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 4.3 pt-20 -64.67 -17.16 63.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -174.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.5 t -58.51 -42.78 88.46 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.931 0.396 . . . . 0.0 110.332 172.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' O ' HG23 ' A' ' 56' ' ' VAL . 57.3 mttm -92.91 -26.96 17.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.322 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.683 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 32.0 ttm180 -51.46 -48.52 62.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.928 -174.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.43 -44.5 94.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.996 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.63 -43.5 93.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.178 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 52' ' ' LYS . 94.5 t -63.92 -47.28 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.444 -178.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.47 -37.36 79.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.429 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 37.5 t70 -70.43 -41.26 73.1 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.887 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -64.13 -35.86 82.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.901 0.381 . . . . 0.0 110.196 176.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.68 -54.58 44.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.819 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.948 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 44.8 p -63.35 -36.63 84.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.55 -177.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -62.53 -48.0 81.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.749 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.67 -30.62 70.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.028 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 68' ' ' VAL . 10.5 mt -57.47 -59.07 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.243 177.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.569 ' HG2' HG22 ' B' ' 57' ' ' VAL . 8.9 mtmp? -62.11 -35.52 78.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.982 0.42 . . . . 0.0 110.571 -177.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -64.91 -48.43 74.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.449 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.1 p -69.72 -23.73 63.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -175.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 64' ' ' LEU . 72.6 t -72.81 -46.3 53.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.792 0.329 . . . . 0.0 110.427 176.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.3 -38.33 68.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.773 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -94.19 27.43 2.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.821 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -80.9 122.92 27.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.201 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -48.69 133.34 17.2 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.72 0.637 . . . . 0.0 111.512 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -135.0 144.66 47.49 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.724 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -73.1 89.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -76.43 98.24 4.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.779 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 77.7 t60 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.905 -176.059 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.0 ttp . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.87 -95.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.023 2.482 . . . . 0.0 112.861 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.6 pt -137.28 -0.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 p -115.85 125.02 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.315 0.579 . . . . 0.0 110.92 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -100.93 159.02 15.55 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.175 175.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.704 ' H ' ' HD2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -85.72 3.15 42.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.697 0.284 . . . . 0.0 110.428 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.463 ' HB3' ' H ' ' B' ' 8' ' ' SER . 92.0 m-85 61.62 -151.69 0.38 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.143 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.463 ' H ' ' HB3' ' B' ' 7' ' ' TYR . 43.7 t -163.38 125.58 2.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.003 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.47 -44.15 95.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.107 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.7 -31.26 72.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.037 0.446 . . . . 0.0 110.593 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.551 ' O ' HG13 ' B' ' 15' ' ' ILE . 46.8 ttt85 -67.78 -44.83 76.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.183 177.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.605 HG22 HD11 ' A' ' 32' ' ' LEU . 98.4 t -62.64 -42.11 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.141 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.77 -41.68 82.52 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.075 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -64.49 -45.16 88.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.138 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.551 HG13 ' O ' ' B' ' 11' ' ' ARG . 69.6 mt -58.68 -41.87 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.694 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.496 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 67.5 mt -61.81 -40.6 87.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.011 0.434 . . . . 0.0 110.187 176.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -66.29 -38.57 88.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.665 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' B' ' 21' ' ' ASP . 0.8 OUTLIER -60.91 -42.09 97.42 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.039 0.447 . . . . 0.0 110.896 176.419 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 77.0 mt -63.97 -42.99 97.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.189 177.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 98.5 mt -63.84 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.716 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.498 ' HA ' HG12 ' B' ' 24' ' ' VAL . 17.8 t70 -60.25 -48.4 81.92 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.223 175.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 1.063 ' HA ' ' HE2' ' B' ' 25' ' ' LYS . 57.9 t -54.79 -43.1 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.427 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.69 -38.63 77.06 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.58 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' B' ' 21' ' ' ASP . 11.1 p -83.14 -32.4 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 1.063 ' HE2' ' HA ' ' B' ' 22' ' ' VAL . 55.0 pttt -72.34 -24.05 61.24 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.78 178.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -88.76 -25.48 22.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.162 174.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 60.87 53.19 3.91 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.506 0.67 . . . . 0.0 110.188 -175.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.45 HG11 HD13 ' A' ' 15' ' ' ILE . 32.7 m -84.73 159.59 3.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.297 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 34.2 p -84.97 156.68 60.62 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.879 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.434 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 10.2 Cg_endo -52.77 -40.12 75.27 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.856 2.371 . . . . 0.0 112.382 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.04 -45.29 89.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.753 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.436 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 54.6 tp -66.82 -45.14 79.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.489 178.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -54.96 -52.07 64.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.026 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.486 HD22 HG13 ' A' ' 41' ' ' VAL . 98.6 mt -61.16 -42.2 98.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.218 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.1 ttp -63.14 -41.1 99.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.01 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.411 ' SG ' ' HB ' ' A' ' 15' ' ' ILE . 93.8 m -72.15 -41.62 66.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.017 177.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.536 ' O ' HG23 ' B' ' 41' ' ' VAL . 90.8 mt -58.17 -47.64 82.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.574 177.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 -46.94 93.19 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.603 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -65.07 -28.69 69.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.574 0.226 . . . . 0.0 111.48 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.77 -44.04 70.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 110.085 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.536 HG23 ' O ' ' B' ' 37' ' ' LEU . 79.0 t -58.57 -46.09 90.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.635 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -52.91 -41.81 64.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.766 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -69.89 -38.12 76.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.818 0.342 . . . . 0.0 110.614 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.4 mm -66.41 -44.81 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.605 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.535 HD13 ' HB ' ' B' ' 57' ' ' VAL . 69.4 mt -64.92 -28.03 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.64 -12.18 60.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.288 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -100.7 -4.55 28.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.27 0.557 . . . . 0.0 109.903 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -86.5 138.83 33.7 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.702 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -41.1 128.93 3.03 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.557 2.838 . . . . 0.0 112.85 176.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.564 ' HA ' ' HB2' ' B' ' 53' ' ' ARG . 31.8 tt0 -62.41 -27.31 69.0 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -170.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.9 t -61.01 -30.21 70.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.663 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.444 ' O ' HG13 ' B' ' 56' ' ' VAL . 16.9 ptpt -114.85 5.63 15.21 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.907 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.564 ' HB2' ' HA ' ' B' ' 50' ' ' GLU . 42.9 ttm180 -65.82 -42.71 90.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.673 0.273 . . . . 0.0 111.42 -174.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.6 -31.7 23.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.6 0.714 . . . . 0.0 109.371 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -45.58 66.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.662 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.444 HG13 ' O ' ' B' ' 52' ' ' LYS . 28.5 m -65.87 -34.08 67.91 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.569 HG22 ' HG2' ' A' ' 65' ' ' LYS . 8.2 p -73.76 -38.13 50.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.434 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.494 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 20.9 t70 -67.81 -46.23 72.49 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -67.04 -29.86 69.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.829 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.447 ' HE1' ' O ' ' A' ' 34' ' ' LEU . 65.6 t80 -62.83 -51.75 65.82 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 173.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.948 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 61.4 p -65.86 -34.28 77.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -58.28 -56.14 25.9 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.09 171.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.84 83.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.351 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.415 ' O ' HG23 ' B' ' 68' ' ' VAL . 15.5 mt -53.67 -62.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.374 0.421 . . . . 0.0 111.273 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.524 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 56.5 mtmt -63.08 -30.05 71.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -71.56 -44.76 63.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.502 176.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.494 ' O ' ' HB2' ' B' ' 71' ' ' HIS . 7.8 t -72.33 -36.82 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.741 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.51 HG22 HG23 ' A' ' 42' ' ' THR . 79.2 t -67.23 -42.53 88.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.715 -0.221 . . . . 0.0 111.448 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 tt -64.25 -38.52 91.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.377 0.608 . . . . 0.0 109.725 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' B' ' 70' ' ' GLU . 38.8 tt0 -82.45 -3.43 55.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.914 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' B' ' 67' ' ' SER . 9.8 t-160 -83.19 69.3 9.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.389 0.614 . . . . 0.0 111.795 -171.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -110.45 108.07 17.95 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 167.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -55.69 117.23 3.44 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.309 0.576 . . . . 0.0 112.544 -168.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 1.2 t60 61.26 22.0 12.41 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.947 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -141.05 86.73 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.021 0.438 . . . . 0.0 110.56 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.092 -179.537 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -83.8 -169.9 0.77 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.436 2.091 . . . . 0.0 110.343 169.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -82.89 117.91 29.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.351 175.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 m -86.31 112.01 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.042 0.449 . . . . 0.0 111.141 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 7' ' ' TYR . 39.2 m 66.49 176.8 0.23 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.101 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.442 ' NZ ' ' HB3' ' A' ' 6' ' ' LYS . 3.9 ttpm? 54.78 76.09 0.27 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.526 0.679 . . . . 0.0 109.337 -174.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 5' ' ' SER . 12.3 m-85 -89.7 156.54 18.48 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.661 -169.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m -67.35 134.09 50.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.02 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -59.3 -32.45 70.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.181 -174.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.86 -45.83 91.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.707 0.289 . . . . 0.0 110.378 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 15' ' ' ILE . 20.8 ttt180 -67.65 -42.23 82.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.571 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 16' ' ' ILE . 86.2 t -58.36 -50.18 79.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.66 -25.07 61.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.979 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -62.26 -50.27 72.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.026 0.441 . . . . 0.0 110.022 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 11' ' ' ARG . 57.4 mt -61.84 -44.23 98.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.328 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 12' ' ' VAL . 79.6 mt -57.91 -48.04 84.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.798 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -65.25 -38.33 90.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.297 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -66.84 -37.15 83.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.006 0.432 . . . . 0.0 110.161 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.507 HD13 HD23 ' B' ' 37' ' ' LEU . 84.8 mt -66.54 -46.97 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.385 175.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.62 -33.81 75.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.568 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 8.9 t70 -62.85 -41.7 99.47 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.012 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.12 -43.65 93.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.774 0.321 . . . . 0.0 110.232 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.13 -46.68 89.57 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.66 -35.97 63.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 110.597 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 33.1 ttmt -58.96 -38.4 79.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.855 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HB2' HG13 ' A' ' 28' ' ' VAL . 45.9 mm-40 -93.31 -6.82 46.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.109 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 55.21 48.79 18.65 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.13 0.49 . . . . 0.0 110.87 -176.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.439 HG13 ' HB2' ' A' ' 26' ' ' GLU . 25.9 m -73.73 152.11 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.514 -177.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 p -81.72 157.74 69.08 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.5 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.581 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 10.1 Cg_endo -53.66 -42.01 69.41 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.317 2.011 . . . . 0.0 111.105 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -57.5 -51.75 68.17 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.633 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.521 HD11 HG22 ' B' ' 12' ' ' VAL . 57.3 tp -65.72 -42.62 90.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.855 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.55 96.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.182 -178.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.9 mt -62.25 -41.19 98.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.703 0.287 . . . . 0.0 110.676 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.456 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 43.5 ttp -67.56 -28.99 68.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.101 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.497 ' HA ' HG12 ' B' ' 16' ' ' ILE . 65.8 m -82.43 -50.21 9.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.795 0.331 . . . . 0.0 110.782 178.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.2 mt -61.0 -49.71 76.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -178.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.61 -35.91 91.85 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.358 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 35' ' ' MET . 15.7 t-20 -66.39 -40.26 89.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.218 0.532 . . . . 0.0 109.797 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.66 82.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.706 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.587 HG22 HD13 ' B' ' 37' ' ' LEU . 60.5 t -59.33 -42.32 87.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.451 178.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -56.25 -43.93 79.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.188 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 44.1 t30 -60.18 -43.42 95.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.683 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -65.48 -48.45 82.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.29 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.526 HG21 ' HB ' ' A' ' 57' ' ' VAL . 47.0 mt -71.32 -28.18 31.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.801 0.334 . . . . 0.0 111.192 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.24 -15.67 63.83 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 69.2 mt-30 -91.71 -1.28 57.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.042 0.448 . . . . 0.0 110.631 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.542 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 45.4 t -90.35 137.89 27.35 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.269 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.99 145.21 94.21 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 122.152 1.901 . . . . 0.0 111.983 174.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.464 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 3.3 tp10 -55.86 -26.34 46.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.169 -173.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -53.13 -30.96 39.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.736 0.303 . . . . 0.0 111.815 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -135.48 -0.06 2.7 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.362 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.542 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 44.9 ttp180 -68.21 -52.56 32.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.055 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 58.3 t -61.6 -31.67 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.179 0.514 . . . . 0.0 110.024 176.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.18 -53.53 29.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.601 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.09 -36.72 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.526 ' HB ' HG21 ' A' ' 45' ' ' ILE . 11.4 p -72.41 -26.94 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.513 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 4.2 t70 -74.59 -46.23 39.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.063 0.459 . . . . 0.0 109.891 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -62.73 -40.21 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.33 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -56.24 -52.36 64.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.533 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.494 HG22 HG22 ' B' ' 61' ' ' THR . 10.8 p -69.01 -37.13 78.51 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.413 -176.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -61.92 -50.19 73.14 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.918 0.389 . . . . 0.0 110.545 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.27 80.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.185 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.6 mt -58.39 -55.89 29.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -57.81 -41.24 81.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.191 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -68.25 -45.51 73.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.259 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.733 ' O ' ' HB2' ' A' ' 71' ' ' HIS . 15.0 t -67.74 -36.72 81.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.833 -0.167 . . . . 0.0 111.003 -176.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.93 -49.99 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.703 0.287 . . . . 0.0 111.333 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.75 -48.67 63.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.464 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -82.65 7.26 15.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.954 0.406 . . . . 0.0 111.034 -175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.733 ' HB2' ' O ' ' A' ' 67' ' ' SER . 11.4 t-80 -77.13 -12.68 59.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -129.49 104.93 7.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.527 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -84.92 133.42 34.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.236 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -57.49 118.53 5.28 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -78.59 14.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.998 -172.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 . . . . . 0 C--O 1.245 0.867 0 CA-C-N 115.408 -0.814 . . . . 0.0 108.995 175.862 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.419 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 67.1 mtt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 3.1 Cg_exo -76.59 165.98 28.04 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.84 2.36 . . . . 0.0 110.959 174.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.5 tp -75.81 90.42 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 122.014 0.911 . . . . 0.0 110.281 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.27 117.68 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.832 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -144.05 15.91 1.72 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.487 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -111.66 -1.27 15.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.777 -175.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 55.72 -151.55 0.39 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.525 174.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.421 ' O ' HG23 ' B' ' 12' ' ' VAL . 21.3 m -145.31 135.08 23.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -52.69 -49.16 65.86 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.515 0.509 . . . . 0.0 112.037 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.57 -50.13 68.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.535 ' O ' HG13 ' B' ' 15' ' ' ILE . 35.8 ttt85 -64.97 -50.63 65.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.965 -177.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.521 HG22 HD11 ' A' ' 32' ' ' LEU . 89.7 t -60.19 -50.26 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.337 -177.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.21 -24.22 61.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.981 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -75.77 -33.3 60.19 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.786 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.549 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 87.0 mt -60.92 -47.31 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 172.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.497 HG12 ' HA ' ' A' ' 36' ' ' CYS . 55.8 mt -59.6 -44.9 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.385 175.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -58.49 -52.93 63.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.934 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.424 ' O ' HG23 ' B' ' 22' ' ' VAL . 24.9 t70 -60.85 -36.11 78.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.579 0.228 . . . . 0.0 111.33 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 96.0 mt -62.04 -44.14 97.32 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 110.148 174.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.452 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.38 -28.99 69.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.994 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 84.9 t -69.77 -39.45 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.4 0.619 . . . . 0.0 109.785 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.17 -37.58 85.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.8 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 84.5 t -78.38 -30.01 15.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.075 0.464 . . . . 0.0 110.747 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 72.2 tttt -52.35 -46.52 66.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.666 175.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -95.32 -8.72 35.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.247 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 46.6 65.28 1.25 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.646 0.736 . . . . 0.0 110.326 -170.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 33.2 m -69.32 153.19 8.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 114.673 -1.149 . . . . 0.0 112.444 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.652 HG22 ' HD2' ' B' ' 30' ' ' PRO . 0.2 OUTLIER -89.3 146.61 36.44 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 114.288 -1.324 . . . . 0.0 109.119 177.468 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.652 ' HD2' HG22 ' B' ' 29' ' ' THR . 48.2 Cg_exo -40.03 -51.36 3.15 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.376 2.718 . . . . 0.0 114.574 -178.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -68.84 -35.48 77.0 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.936 0.398 . . . . 0.0 110.76 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.41 -44.99 77.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.373 176.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.08 -52.77 64.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.114 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.03 -31.11 72.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.98 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 36.7 ttp -69.49 -49.51 54.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.733 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -66.71 -47.5 72.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.236 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.587 HD13 HG22 ' A' ' 41' ' ' VAL . 88.1 mt -61.42 -42.71 99.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.12 -42.73 97.23 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.663 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -72.12 -34.31 68.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.655 0.264 . . . . 0.0 110.777 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.99 -47.13 84.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 37' ' ' LEU . 60.4 t -59.89 -51.94 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.665 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 56.9 m -55.96 -35.79 67.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.527 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.39 -39.78 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.787 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.7 tt -83.96 -22.05 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.892 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.426 HG13 ' O ' ' B' ' 41' ' ' VAL . 61.2 mt -72.65 -27.71 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.213 0.53 . . . . 0.0 109.935 175.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.39 -18.14 64.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.75 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -81.94 -10.64 59.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.296 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 46.2 t -92.98 130.99 34.38 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.926 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.79 146.92 26.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.872 2.381 . . . . 0.0 112.439 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -58.45 -25.56 62.37 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.971 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.4 m -52.4 -41.76 63.46 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.402 0.438 . . . . 0.0 111.787 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -123.26 7.69 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.674 0.273 . . . . 0.0 111.397 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -65.66 -36.38 83.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.88 0.371 . . . . 0.0 110.473 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.82 -32.9 42.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.207 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.4 -47.18 62.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.251 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 m -64.91 -38.62 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 8.6 p -73.51 -33.54 39.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.794 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -66.67 -50.44 62.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.933 0.397 . . . . 0.0 109.972 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -62.91 -32.65 73.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.426 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.53 -55.87 28.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.765 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.528 ' O ' ' HB2' ' B' ' 65' ' ' LYS . 22.9 p -64.47 -33.65 76.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.377 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -66.53 -56.51 10.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.051 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.84 91.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.667 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.403 ' O ' HG23 ' B' ' 68' ' ' VAL . 6.2 tt -64.39 -45.46 87.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.92 0.39 . . . . 0.0 110.032 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.543 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 1.7 tttm -59.59 -45.97 90.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.378 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -65.88 -39.29 90.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.347 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 6.3 t -70.31 -35.89 73.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.018 -176.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 64' ' ' LEU . 78.2 t -65.0 -43.25 96.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.647 0.261 . . . . 0.0 110.367 176.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 93.3 mt -58.23 -53.93 52.71 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.713 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -97.49 78.5 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.199 0.523 . . . . 0.0 110.643 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -139.21 140.25 37.71 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -89.23 116.43 27.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.768 0.318 . . . . 0.0 111.141 -173.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -162.16 101.67 1.11 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.352 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -100.31 -170.29 1.85 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.432 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -85.46 100.88 12.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.012 0.434 . . . . 0.0 110.892 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.493 176.233 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 50.8 ttm . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.55 0.214 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 39.3 Cg_exo -60.91 132.76 43.87 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.758 2.305 . . . . 0.0 112.095 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.444 HG12 ' N ' ' A' ' 4' ' ' VAL . 14.9 tt -130.73 166.73 27.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.381 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.444 ' N ' HG12 ' A' ' 3' ' ' ILE . 21.6 t -66.45 -19.13 25.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.11 0.481 . . . . 0.0 111.245 -178.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 m -74.48 80.9 1.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.471 0.653 . . . . 0.0 111.67 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -90.4 -23.81 20.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.767 0.794 . . . . 0.0 109.079 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -74.1 144.29 45.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.877 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.5 p -75.88 151.72 37.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.877 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -62.73 -31.92 72.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.609 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -61.25 -45.24 95.33 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.872 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.619 ' O ' HG13 ' A' ' 15' ' ' ILE . 50.9 ttt85 -61.98 -46.09 90.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.856 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -55.28 -49.62 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.095 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -61.43 -38.6 87.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.212 0.53 . . . . 0.0 110.98 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HA ' ' HB3' ' A' ' 17' ' ' GLN . 42.5 mttp -81.48 -19.78 41.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.88 -175.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 11' ' ' ARG . 93.4 mt -66.77 -47.57 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 169.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.461 HG23 ' HB2' ' B' ' 40' ' ' ALA . 64.1 mt -61.15 -45.7 98.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.096 176.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.546 ' HB3' ' HA ' ' A' ' 14' ' ' LYS . 42.7 tp60 -59.77 -47.22 86.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.361 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -60.21 -43.41 96.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 109.951 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.73 -48.08 82.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.654 176.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.71 -37.39 86.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.195 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.63 -40.62 97.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.345 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.27 -45.57 95.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.15 175.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.478 HD11 HD21 ' A' ' 37' ' ' LEU . 97.5 mt -60.3 -42.43 95.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.279 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.3 t -75.52 -32.77 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -56.94 -43.24 81.29 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.211 0.529 . . . . 0.0 110.206 174.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.49 ' HG3' HG12 ' B' ' 15' ' ' ILE . 66.5 mm-40 -82.02 -12.76 58.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.073 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 55.82 50.28 14.4 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.099 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.495 ' HA ' HD23 ' A' ' 32' ' ' LEU . 33.0 m -64.68 142.39 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.984 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.2 p -79.21 162.09 65.44 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.571 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 83.4 Cg_exo -48.82 -45.24 29.08 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.653 2.235 . . . . 0.0 112.584 178.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -72.96 -37.91 66.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.154 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 28' ' ' VAL . 60.1 tp -65.36 -38.74 90.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.867 0.365 . . . . 0.0 110.045 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.48 85.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.574 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 87.9 mt -58.78 -49.2 78.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.037 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttp -62.46 -39.04 92.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.467 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.462 ' HA ' HG12 ' B' ' 16' ' ' ILE . 61.1 m -76.08 -50.03 15.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.112 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.602 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.7 mt -65.47 -47.28 76.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.206 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.91 -34.09 81.48 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.37 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -68.3 -44.56 75.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.09 77.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.843 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 37' ' ' LEU . 82.3 t -61.79 -47.92 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.399 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.3 t -74.94 -19.24 60.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -173.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -74.03 -34.51 64.14 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 174.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.37 -38.45 69.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.246 0.546 . . . . 0.0 109.955 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.479 HD13 ' HB ' ' A' ' 57' ' ' VAL . 83.3 mt -62.22 -30.97 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.645 177.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.33 -5.49 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.462 . . . . 0.0 111.371 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.57 -24.28 18.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.148 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.538 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 27.5 m -91.56 162.51 31.38 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.475 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 48' ' ' VAL . 27.6 Cg_endo -62.79 148.08 93.87 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.583 2.189 . . . . 0.0 112.133 175.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.567 ' OE1' ' HD2' ' A' ' 53' ' ' ARG . 2.4 mm-40 -59.84 -23.77 63.64 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.025 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.0 t -48.72 -39.56 25.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.32 176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -118.91 3.92 11.5 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.567 ' HD2' ' OE1' ' A' ' 50' ' ' GLU . 96.3 mtt180 -60.45 -49.77 76.26 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.597 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.62 -28.57 40.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.146 0.498 . . . . 0.0 110.424 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.33 -48.25 43.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.1 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.694 ' HB ' HD11 ' B' ' 34' ' ' LEU . 28.7 m -64.14 -35.51 74.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.479 ' HB ' HD13 ' A' ' 45' ' ' ILE . 9.4 p -73.74 -36.77 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.771 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' HA ' ' HE2' ' B' ' 65' ' ' LYS . 17.9 t70 -68.8 -39.07 80.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.089 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -72.37 -32.46 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -61.09 -53.65 54.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.337 0.589 . . . . 0.0 109.717 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.3 p -65.25 -37.73 88.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.634 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -58.14 -49.61 76.37 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.519 175.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.92 71.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.386 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.51 -61.21 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.056 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -64.2 -32.16 73.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.496 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -60.7 -38.62 85.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.163 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 71' ' ' HIS . 15.1 m -88.19 -40.97 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.187 -176.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -66.23 -48.89 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.34 -20.48 60.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.313 . . . . 0.0 111.264 -175.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -95.83 -2.64 47.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.064 0.459 . . . . 0.0 110.479 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' A' ' 67' ' ' SER . 15.8 t-80 -89.95 16.23 8.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.111 0.481 . . . . 0.0 110.405 -177.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -72.7 101.72 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -106.74 130.38 54.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.221 -172.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -84.25 139.58 32.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.076 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -75.66 -81.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.989 0.423 . . . . 0.0 111.15 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--O 1.247 0.939 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -177.029 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -60.88 114.7 2.27 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.805 2.337 . . . . 0.0 112.483 -177.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.9 mm -61.17 132.82 26.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.548 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t -49.19 102.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.245 0 O-C-N 123.849 0.718 . . . . 0.0 112.265 -173.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -135.98 106.6 6.53 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -100.29 -22.67 15.02 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -128.48 131.33 48.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.871 0.367 . . . . 0.0 111.181 -174.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 7.3 p -86.7 146.43 26.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.389 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.37 -46.23 86.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.405 -176.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -60.23 -44.84 94.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.959 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.543 ' O ' HG13 ' B' ' 15' ' ' ILE . 55.3 ttt180 -63.88 -49.89 70.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.08 -46.73 95.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.77 -40.33 92.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.584 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -63.12 -43.8 97.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.056 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.543 HG13 ' O ' ' B' ' 11' ' ' ARG . 88.6 mt -57.74 -47.89 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.332 . . . . 0.0 110.489 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.462 HG12 ' HA ' ' A' ' 36' ' ' CYS . 63.2 mt -62.55 -46.66 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.817 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -64.92 -41.86 95.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.953 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.469 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -58.47 -43.4 88.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.412 178.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 91.6 mt -63.81 -42.97 97.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.645 177.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.15 -39.01 88.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -68.03 -36.5 80.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 18' ' ' ASP . 76.8 t -61.07 -42.77 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.099 0.476 . . . . 0.0 110.358 174.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 19' ' ' LEU . 91.3 mt -59.93 -42.76 94.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.709 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.0 t -68.48 -40.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.174 0.511 . . . . 0.0 110.234 176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -54.96 -43.43 73.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.422 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.513 ' HG3' HG12 ' A' ' 15' ' ' ILE . 12.0 mm-40 -86.28 -6.0 59.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.203 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 57.32 39.85 28.12 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.607 0.567 . . . . 0.0 111.123 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.558 HG12 HD13 ' A' ' 15' ' ' ILE . 32.1 m -62.75 131.68 28.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.087 0.47 . . . . 0.0 111.234 -176.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.4 p -74.0 150.9 88.29 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.535 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 84.0 Cg_exo -46.52 -51.66 8.56 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.951 2.434 . . . . 0.0 113.322 -177.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.64 -38.46 91.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' B' ' 28' ' ' VAL . 44.1 tp -63.06 -44.5 95.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.462 175.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.96 78.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.614 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.694 HD11 ' HB ' ' A' ' 56' ' ' VAL . 84.3 mt -60.71 -44.76 96.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.444 177.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.45 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 50.4 ttp -64.55 -44.66 90.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 71.4 m -67.89 -52.51 35.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.305 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.584 ' O ' HG23 ' B' ' 41' ' ' VAL . 99.2 mt -63.1 -48.19 79.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.868 -178.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.21 97.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.488 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' B' ' 35' ' ' MET . 22.4 t-20 -66.6 -41.32 88.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.461 ' HB2' HG23 ' A' ' 16' ' ' ILE . . . -60.53 -47.37 86.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.569 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 37' ' ' LEU . 59.2 t -59.71 -43.3 91.15 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 CA-C-O 120.987 0.422 . . . . 0.0 110.398 177.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.6 m -58.12 -40.87 82.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.684 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -72.88 -12.98 61.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.921 -177.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 40' ' ' ALA . 71.2 mt -94.9 -43.24 12.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.383 177.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.493 HG22 ' HG3' ' B' ' 53' ' ' ARG . 57.6 mt -69.11 -23.55 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 121.325 0.584 . . . . 0.0 110.711 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.56 -12.96 61.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.14 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -81.91 -35.94 28.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.01 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.487 HG22 ' O ' ' B' ' 45' ' ' ILE . 33.2 m -74.52 150.46 86.91 Favored Pre-proline 0 C--O 1.235 0.32 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.42 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.34 151.77 65.58 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.905 2.403 . . . . 0.0 112.024 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.457 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 24.1 mt-10 -66.96 -9.17 35.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.524 -175.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -70.32 -28.6 65.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.851 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.407 ' O ' HG23 ' B' ' 56' ' ' VAL . 18.8 ptpt -122.5 -4.21 8.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.289 . . . . 0.0 111.128 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.493 ' HG3' HG22 ' B' ' 45' ' ' ILE . 43.4 ttm180 -60.99 -40.13 92.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.473 -174.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.6 -39.59 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.059 0.457 . . . . 0.0 110.332 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.96 78.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.031 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.419 HG13 HD11 ' A' ' 34' ' ' LEU . 59.8 t -59.83 -50.01 81.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.708 -177.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.17 -34.9 71.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.772 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.58 -44.83 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.666 0.269 . . . . 0.0 110.578 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.43 -42.32 82.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.125 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.16 -50.79 68.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.45 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -63.55 -39.43 94.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.745 -178.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -64.44 -46.73 81.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.334 . . . . 0.0 110.615 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.48 77.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.074 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 68' ' ' VAL . 58.9 mt -61.78 -57.29 12.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.428 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 93.4 mttt -61.27 -41.95 97.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.613 0.244 . . . . 0.0 111.074 -176.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -60.75 -36.08 78.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.104 0.478 . . . . 0.0 110.598 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 30.8 t -76.99 -25.48 52.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.259 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 64' ' ' LEU . 95.4 t -84.88 -34.24 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.747 0.308 . . . . 0.0 110.715 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 95.5 mt -60.04 -55.65 31.41 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.16 63.43 3.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.873 0.844 . . . . 0.0 108.789 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -69.93 115.21 8.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.991 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 72.8 t60 70.01 113.83 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.471 -177.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.0 147.84 52.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.986 -178.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -81.67 100.7 9.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.637 0.256 . . . . 0.0 111.379 -171.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 82.7 t60 71.53 -54.76 0.67 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.822 0.849 . . . . 0.0 111.598 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 6.4 p80 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.937 -0.554 . . . . 0.0 110.356 -178.526 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.437 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 2.1 mpt? . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 10.9 Cg_exo -72.17 -11.16 26.78 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.953 2.435 . . . . 0.0 111.516 176.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 56.0 mt -84.6 91.66 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.218 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.63 HG12 ' HG3' ' A' ' 6' ' ' LYS . 15.9 t 48.52 77.09 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.485 177.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -65.04 -35.91 82.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.249 -177.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.63 ' HG3' HG12 ' A' ' 4' ' ' VAL . 37.2 mtmm 69.76 4.52 4.78 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.172 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 58.55 -155.58 0.34 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.143 0.497 . . . . 0.0 110.761 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 p -91.97 130.06 37.79 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.248 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -53.63 -34.48 58.72 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.379 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -59.85 -55.23 36.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.572 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 15' ' ' ILE . 78.5 ttt180 -58.61 -46.11 87.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.882 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 16' ' ' ILE . 92.6 t -55.03 -53.1 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.486 -178.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -79.17 -16.09 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.765 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -64.77 -48.22 75.3 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 171.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 11' ' ' ARG . 61.8 mt -59.49 -48.99 85.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.225 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.432 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 69.1 mt -55.75 -49.79 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.977 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -64.61 -40.86 96.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.78 -37.47 86.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.015 0.436 . . . . 0.0 110.334 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.48 -45.96 81.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.689 174.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 93.9 mt -61.7 -34.3 75.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.891 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.436 ' HA ' HG12 ' A' ' 24' ' ' VAL . 23.3 t70 -64.53 -43.31 94.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.201 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.1 t -59.31 -42.89 88.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.045 0.45 . . . . 0.0 110.047 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.404 HD12 HD23 ' A' ' 20' ' ' LEU . 96.7 mt -62.45 -44.99 95.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.631 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' A' ' 21' ' ' ASP . 11.3 p -75.37 -31.06 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.606 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -65.25 -39.82 93.18 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.753 175.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -77.5 -10.77 59.67 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.654 175.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 60.31 42.85 14.38 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.3 m -75.12 134.8 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-O 122.053 0.93 . . . . 0.0 111.81 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.592 HG22 ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -76.31 143.15 72.51 Favored Pre-proline 0 N--CA 1.436 -1.149 0 CA-C-N 114.016 -1.447 . . . . 0.0 109.358 176.667 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.592 ' HD2' HG22 ' A' ' 29' ' ' THR . 53.5 Cg_exo -41.2 -48.7 4.97 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.44 2.76 . . . . 0.0 114.044 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.49 -49.79 76.15 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.386 0.612 . . . . 0.0 110.446 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.529 HD22 ' CE1' ' B' ' 7' ' ' TYR . 39.1 tp -59.78 -43.05 94.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.75 176.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.86 85.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.94 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 95.9 mt -60.47 -46.29 90.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 0.0 110.372 177.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.473 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 50.2 ttp -63.82 -36.12 82.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.003 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.5 m -75.26 -50.5 15.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.1 mt -62.46 -50.62 70.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.384 -177.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.02 -35.69 88.04 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.258 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.473 ' HB2' ' O ' ' A' ' 35' ' ' MET . 14.8 t-20 -67.94 -41.76 82.03 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.239 0.542 . . . . 0.0 109.763 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -64.13 -43.35 95.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.714 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.5 t -57.57 -41.7 79.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.307 176.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.486 HG23 HG22 ' B' ' 68' ' ' VAL . 89.3 m -55.29 -43.72 75.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.302 178.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -72.86 -31.22 64.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 40' ' ' ALA . 45.6 mm -69.41 -42.57 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 0.0 110.355 176.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.421 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 72.4 mt -67.01 -25.62 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.158 0.504 . . . . 0.0 110.116 177.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.86 -17.04 64.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.897 0.379 . . . . 0.0 110.967 178.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -89.55 -4.66 57.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.355 0.598 . . . . 0.0 110.169 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 t -92.39 137.02 24.83 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.89 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -64.0 144.73 88.53 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.185 1.923 . . . . 0.0 111.903 176.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -52.06 -32.61 35.36 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.181 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -54.86 -35.46 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.157 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -122.0 3.2 9.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 111.137 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 45' ' ' ILE . 18.5 ttp180 -68.41 -37.29 80.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.672 -174.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 t -74.86 -38.98 44.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.394 0.616 . . . . 0.0 110.216 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.56 97.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.501 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.8 m -68.03 -39.02 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -177.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -70.8 -32.04 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.306 -177.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.39 -49.23 44.06 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 110.415 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -63.0 -38.19 90.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -53.83 -53.59 50.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.427 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.568 HG22 HG22 ' B' ' 61' ' ' THR . 14.1 p -74.76 -41.84 59.34 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.954 -174.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -57.98 -49.41 76.92 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 120.996 0.427 . . . . 0.0 111.128 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.99 68.63 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.381 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.22 -53.11 61.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.503 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.481 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 43.5 mtpt -58.55 -44.66 89.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.974 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -59.78 -46.86 87.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.257 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.9 m -67.34 -40.93 85.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.388 -176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.0 t -69.55 -35.88 68.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.812 0.339 . . . . 0.0 110.94 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.23 -49.32 72.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.383 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -71.61 -40.42 69.81 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.104 0.478 . . . . 0.0 110.745 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -96.48 59.18 1.8 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.168 0.509 . . . . 0.0 110.134 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -76.37 -40.6 50.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.864 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -131.65 -81.77 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 170.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 53.46 84.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.98 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -107.06 -18.05 14.01 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 162.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 . . . . . 0 C--O 1.247 0.928 0 CA-C-N 113.726 -1.579 . . . . 0.0 107.957 172.482 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -71.18 100.46 1.0 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.561 2.174 . . . . 0.0 111.384 177.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -80.39 71.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.436 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.4 t 57.15 41.17 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.891 0.853 . . . . 0.0 110.244 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.4 p -79.52 70.36 5.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.673 0.749 . . . . 0.0 109.909 177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -107.17 -7.86 16.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.196 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.529 ' CE1' HD22 ' A' ' 32' ' ' LEU . 6.2 m-85 -120.09 151.05 39.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.097 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.7 t -89.34 148.78 23.34 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 172.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.428 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 27.0 p-10 -61.65 -25.44 67.37 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -57.46 -43.62 84.15 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.619 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.469 ' O ' HG13 ' B' ' 15' ' ' ILE . 54.6 ttt85 -78.89 -35.65 43.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 -177.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.417 ' O ' HG13 ' B' ' 16' ' ' ILE . 91.7 t -60.55 -50.64 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.461 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 9' ' ' ASN . 53.2 mm-40 -63.4 -34.08 76.95 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.897 0.379 . . . . 0.0 110.274 176.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -61.06 -53.68 54.16 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.192 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.469 HG13 ' O ' ' B' ' 11' ' ' ARG . 75.2 mt -58.24 -40.7 78.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.512 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 12' ' ' VAL . 74.9 mt -60.48 -43.41 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.114 175.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -64.08 -42.9 96.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.839 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.61 -42.61 93.02 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.477 HD13 HD23 ' A' ' 37' ' ' LEU . 96.9 mt -65.29 -47.25 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.773 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 91.0 mt -62.51 -35.32 79.03 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.492 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -58.1 -47.86 81.95 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.55 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.23 -45.4 93.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 O-C-N 123.216 0.323 . . . . 0.0 110.883 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.41 -39.88 92.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.439 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 91.0 t -75.63 -38.04 37.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.964 0.411 . . . . 0.0 110.63 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -57.96 -41.3 82.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.925 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -80.67 -16.95 52.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.576 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 50.39 67.06 0.98 Allowed 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.117 -170.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 32.3 m -85.31 155.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.627 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 23.6 p -84.18 159.43 59.49 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.406 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 75.7 Cg_exo -50.25 -50.34 13.76 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.719 2.279 . . . . 0.0 112.622 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.43 -43.69 93.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.78 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 tp -61.86 -44.07 97.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.644 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.57 81.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 90.9 mt -60.88 -42.67 98.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 57.8 ttp -62.0 -41.89 98.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 62.5 m -69.15 -47.66 64.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 41' ' ' VAL . 99.0 mt -60.37 -41.39 93.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.248 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.26 -44.38 93.36 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.64 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -69.97 -34.83 73.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.803 0.335 . . . . 0.0 110.733 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.16 92.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.509 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 37' ' ' LEU . 64.0 t -61.57 -37.44 77.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.324 177.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.5 m -57.34 -41.48 80.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.772 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -68.14 -39.44 82.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.887 0.375 . . . . 0.0 110.513 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.7 mm -61.61 -47.87 91.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.386 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 41' ' ' VAL . 36.8 mt -71.22 -20.04 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.152 0.501 . . . . 0.0 110.361 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.654 ' HA ' ' NH1' ' B' ' 53' ' ' ARG . . . -75.13 -10.44 59.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 176.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -88.81 -6.95 57.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.578 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' B' ' 52' ' ' LYS . 20.7 t -102.53 129.19 26.5 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.816 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.48 142.64 85.61 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.417 2.078 . . . . 0.0 112.01 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.516 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 6.1 mp0 -45.38 -31.37 1.63 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.344 0.658 . . . . 0.0 112.589 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 15.2 m -46.44 -41.08 13.32 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 123.637 0.586 . . . . 0.0 111.735 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.452 ' HG3' ' CG1' ' B' ' 48' ' ' VAL . 20.2 ptmt -125.93 3.26 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.881 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.654 ' NH1' ' HA ' ' B' ' 46' ' ' ALA . 21.5 ttm-85 -62.36 -47.01 86.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -176.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 37.5 t -65.87 -35.17 74.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.206 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.41 -51.13 60.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.04 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.75 -35.57 75.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 p -71.4 -31.37 43.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 120.92 0.391 . . . . 0.0 110.645 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.69 -45.71 35.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -60.85 -41.35 95.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.66 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -56.01 -54.92 39.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.374 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.568 HG22 HG22 ' A' ' 61' ' ' THR . 18.9 p -70.0 -34.1 72.87 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.364 -176.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -58.69 -58.7 7.42 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.03 0.443 . . . . 0.0 110.657 173.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.525 -177.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 tt -58.83 -49.45 77.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.941 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.492 ' HG3' HG21 ' A' ' 61' ' ' THR . 8.5 mtmp? -62.36 -43.0 99.84 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.522 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.944 ' HA ' HE21 ' B' ' 66' ' ' GLN . 0.0 OUTLIER -75.21 -30.93 60.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -176.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' B' ' 71' ' ' HIS . 17.5 p -72.76 -46.58 52.69 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.669 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.486 HG22 HG23 ' A' ' 42' ' ' THR . 94.4 t -61.03 -45.67 98.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.636 -0.257 . . . . 0.0 111.518 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.06 -14.65 63.1 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -125.12 12.98 8.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.275 0.56 . . . . 0.0 110.556 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . 0.548 ' HB2' ' O ' ' B' ' 67' ' ' SER . 34.1 t-80 -87.84 -30.07 20.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.457 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -93.49 -9.78 37.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.098 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 83.4 t60 72.01 156.77 0.17 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.461 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -73.24 141.63 47.27 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -136.19 113.08 10.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.239 0.543 . . . . 0.0 111.677 -173.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 36.8 t60 . . . . . 0 C--O 1.244 0.795 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.989 177.468 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.484 ' H2 ' ' HD2' ' A' ' 2' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.484 ' HD2' ' H2 ' ' A' ' 1' ' ' MET . 56.2 Cg_endo -71.62 100.45 1.05 Allowed 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.415 1.41 . . . . 0.0 111.666 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.2 mt -101.74 116.33 45.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.608 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.49 99.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -114.97 168.94 9.47 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.856 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -86.17 -25.9 25.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.816 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -89.84 145.87 24.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.114 0.483 . . . . 0.0 111.38 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 12' ' ' VAL . 22.3 p -112.09 177.98 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.005 177.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -63.12 -30.47 71.62 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.081 0.238 . . . . 0.0 110.778 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.23 -43.0 99.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.471 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.533 ' O ' HG13 ' A' ' 15' ' ' ILE . 79.9 ttt180 -70.0 -33.88 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.167 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 16' ' ' ILE . 61.1 t -61.63 -50.18 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.923 175.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -55.28 -39.71 70.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.836 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.24 -49.05 79.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.34 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 11' ' ' ARG . 56.1 mt -63.93 -43.3 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.365 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 12' ' ' VAL . 68.8 mt -60.93 -39.8 83.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.208 177.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -65.6 -41.86 92.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.751 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.09 -37.57 84.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.424 . . . . 0.0 110.283 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.7 -51.51 64.7 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.763 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 23' ' ' LEU . 91.9 mt -64.59 -27.49 68.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.828 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -46.97 85.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.923 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.3 t -60.24 -45.25 96.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.022 0.439 . . . . 0.0 110.723 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.542 HD12 HD23 ' A' ' 20' ' ' LEU . 97.7 mt -60.65 -42.03 96.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.65 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.3 t -80.58 -32.34 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -54.33 -47.28 72.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.4 0.619 . . . . 0.0 110.138 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HB2' HG13 ' A' ' 28' ' ' VAL . 57.5 mm-40 -88.45 -5.43 58.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.142 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 37.55 58.43 1.33 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 124.309 1.006 . . . . 0.0 111.397 -174.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.3 m -73.41 162.25 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.748 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.2 p -86.81 159.77 51.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.294 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.38 -48.48 18.6 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.864 2.376 . . . . 0.0 112.538 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -56.51 -50.72 71.0 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.627 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' B' ' 7' ' ' TYR . 35.8 tp -62.89 -46.36 88.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.872 -177.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.74 -53.34 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.102 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.5 mt -60.83 -43.54 98.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.458 -176.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.4 ttp -64.65 -40.29 95.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.647 0.261 . . . . 0.0 111.086 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -68.69 -47.34 66.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.765 0.317 . . . . 0.0 110.671 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.0 mt -61.24 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.14 -43.73 93.32 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.847 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -69.12 -36.59 77.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.642 0.258 . . . . 0.0 110.754 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 -46.39 88.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.435 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 37' ' ' LEU . 60.0 t -60.74 -54.14 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.344 177.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.6 m -57.33 -39.23 75.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.708 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -66.74 -36.39 82.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.393 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.9 tt -84.73 -25.73 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.014 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.417 ' O ' ' HG3' ' A' ' 53' ' ' ARG . 57.2 mt -65.55 -33.24 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.373 0.606 . . . . 0.0 109.95 174.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.29 -14.59 61.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.138 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -83.63 -15.67 48.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.417 0.627 . . . . 0.0 109.703 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.1 t -81.1 135.93 50.67 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.379 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -44.41 126.06 6.45 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.886 2.391 . . . . 0.0 112.194 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.524 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 41.9 tt0 -50.99 -34.63 29.91 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.069 -174.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -50.77 -32.52 20.06 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.996 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.02 6.74 9.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.935 0.398 . . . . 0.0 110.554 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.524 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 40.3 ttm180 -67.44 -40.51 85.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.192 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.81 -35.71 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.058 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.19 -51.63 62.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.5 m -63.87 -35.22 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -175.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -75.0 -33.03 28.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.585 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.27 -36.18 68.94 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.603 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -63.5 -46.3 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.419 ' CE2' HG11 ' A' ' 41' ' ' VAL . 52.6 t80 -58.33 -51.49 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.059 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.1 p -65.69 -41.44 92.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.837 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -60.71 -51.42 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.293 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.46 90.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.856 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 68' ' ' VAL . 9.5 mt -49.52 -66.47 0.39 Allowed 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.726 0.641 . . . . 0.0 112.029 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.581 ' HG2' HG22 ' B' ' 57' ' ' VAL . 50.8 mtmt -63.81 -29.03 70.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.497 -174.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -69.19 -39.84 78.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.704 0.288 . . . . 0.0 110.642 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 p -80.93 -10.24 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 111.406 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.542 HG21 HG21 ' B' ' 57' ' ' VAL . 53.4 t -85.93 -41.84 15.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.768 0.318 . . . . 0.0 110.647 176.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 97.9 mt -61.77 -42.92 99.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.461 177.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -125.44 95.6 4.52 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -114.99 40.1 2.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.967 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 65.87 94.88 0.06 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.695 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -76.07 73.74 2.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.437 -171.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -93.85 111.56 23.27 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -66.83 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.042 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.455 -0.783 . . . . 0.0 109.523 177.715 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.8 169.2 22.92 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.534 2.156 . . . . 0.0 111.745 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -82.49 116.37 26.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 31.0 m -62.9 151.89 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.258 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m -87.27 39.29 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.26 0.552 . . . . 0.0 110.631 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -82.49 100.15 9.9 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.619 0.723 . . . . 0.0 110.385 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.444 ' CD1' HD13 ' A' ' 32' ' ' LEU . 27.0 p90 -54.42 151.04 8.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.261 -1.336 . . . . 0.0 112.39 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 5.3 t -101.39 160.24 14.59 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 175.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.79 -36.44 76.72 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -175.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.32 -35.98 70.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.755 0.312 . . . . 0.0 110.656 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.478 ' O ' HG13 ' B' ' 15' ' ' ILE . 9.8 ttt-85 -71.07 -41.86 70.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.928 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.1 t -58.3 -46.98 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.007 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -57.72 -40.2 79.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.695 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -64.68 -49.97 68.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.153 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.523 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 76.5 mt -60.11 -44.15 94.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -175.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.415 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 76.4 mt -59.91 -40.95 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.273 176.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -61.91 -46.88 87.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.653 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.447 ' O ' HG23 ' B' ' 22' ' ' VAL . 15.2 m-20 -64.24 -35.85 82.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.077 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.7 mt -64.01 -44.01 93.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 110.375 175.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 97.9 mt -65.21 -33.68 76.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.374 176.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.44 ' HA ' HG12 ' B' ' 24' ' ' VAL . 0.6 OUTLIER -62.06 -38.65 89.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.815 176.014 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.541 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 95.5 t -62.87 -41.4 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 0.0 110.541 177.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.472 HD22 HG21 ' B' ' 28' ' ' VAL . 84.5 mt -65.52 -35.36 80.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.92 -178.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' B' ' 21' ' ' ASP . 9.7 p -85.01 -19.0 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 120.917 0.389 . . . . 0.0 110.808 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.541 ' HD3' ' HA ' ' B' ' 22' ' ' VAL . 9.9 mtpm? -62.27 -35.87 80.32 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.192 0.52 . . . . 0.0 110.046 172.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.519 ' HG3' HG12 ' A' ' 15' ' ' ILE . 46.5 mm-40 -102.99 -14.52 16.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.66 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 55.2 49.05 18.1 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.415 0.626 . . . . 0.0 109.899 -173.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.472 HG21 HD22 ' B' ' 23' ' ' LEU . 34.0 m -61.23 148.3 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.161 -175.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 40.3 p -80.77 165.17 47.3 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.442 173.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.438 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 74.9 Cg_exo -50.44 -45.11 36.08 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.287 1.991 . . . . 0.0 111.61 174.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.09 -55.91 24.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.103 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 43.2 tp -58.53 -36.03 73.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.131 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.07 -51.69 62.85 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.895 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 85.8 mt -62.07 -42.83 99.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.161 -177.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 32.9 ttp -63.87 -31.83 73.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.546 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 67.8 m -85.0 -49.14 8.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.739 0.304 . . . . 0.0 111.0 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.2 mt -60.67 -54.31 46.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.411 -177.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.4 -33.31 84.16 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.592 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -64.78 -44.23 90.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.138 0.494 . . . . 0.0 109.846 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.05 -39.4 86.93 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.699 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 37' ' ' LEU . 89.9 t -59.5 -47.96 88.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.946 177.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.0 m -64.35 -32.7 74.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.726 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -64.88 -35.83 82.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.394 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.4 mm -76.04 -46.2 34.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.678 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.404 HG21 ' HB ' ' B' ' 57' ' ' VAL . 70.1 mt -61.42 -29.8 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.968 0.413 . . . . 0.0 111.289 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.66 -21.31 65.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.185 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -89.58 -8.63 52.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 0.0 110.392 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.417 HG12 ' HG3' ' B' ' 52' ' ' LYS . 47.8 t -83.64 133.64 46.28 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.371 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -41.91 129.7 4.17 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.29 2.66 . . . . 0.0 112.603 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -49.59 -39.83 36.74 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -170.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 56.2 m -57.75 -52.89 63.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 111.544 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.417 ' HG3' HG12 ' B' ' 48' ' ' VAL . 6.0 ptpp? -87.2 -9.93 53.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.062 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.99 -45.09 91.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.985 0.421 . . . . 0.0 110.655 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.8 t -67.21 -34.3 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.188 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.79 -48.53 45.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.503 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.6 m -65.73 -34.39 70.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -176.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.581 HG22 ' HG2' ' A' ' 65' ' ' LYS . 13.3 p -73.02 -35.07 47.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.524 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.53 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 32.6 t70 -67.33 -44.37 79.27 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -61.93 -36.97 82.95 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.319 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -61.14 -53.48 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.081 177.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 41.2 p -64.66 -35.06 79.8 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.129 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.2 -56.25 23.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.412 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.25 81.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.99 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.487 ' O ' HG23 ' B' ' 68' ' ' VAL . 13.6 mt -53.13 -63.04 1.28 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.408 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.401 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 41.5 mtmt -65.6 -30.22 70.92 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.521 -174.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -62.87 -48.89 77.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.821 0.343 . . . . 0.0 110.961 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.1 p -75.63 -26.96 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.66 -176.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 64' ' ' LEU . 59.2 t -66.04 -38.52 82.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.709 0.29 . . . . 0.0 110.78 176.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 88.1 mt -69.95 -26.03 63.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.976 0.417 . . . . 0.0 111.309 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -94.69 -68.93 0.77 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 52.04 74.97 0.24 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.096 -173.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -87.27 56.44 3.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.39 -173.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -95.38 76.2 3.36 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -158.85 49.54 0.36 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.356 -175.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -85.03 61.9 7.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.959 0.885 . . . . 0.0 110.081 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 114.349 -1.296 . . . . 0.0 108.687 179.155 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.94 117.1 4.1 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.657 2.238 . . . . 0.0 112.335 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.8 mt -87.25 98.2 7.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.901 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 79.7 t 73.04 130.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.407 0.622 . . . . 0.0 110.913 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 t -81.63 -171.17 3.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.503 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -77.58 -23.11 50.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.985 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -82.9 105.23 13.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.251 0.548 . . . . 0.0 110.492 176.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.6 t -70.15 158.28 36.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.492 -178.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.51 -49.97 74.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.99 -33.22 72.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.912 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.551 ' O ' HG13 ' A' ' 15' ' ' ILE . 60.1 ttt85 -67.1 -45.2 77.94 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 8' ' ' SER . 80.1 t -55.38 -45.63 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.014 0.435 . . . . 0.0 110.489 178.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.89 -40.74 85.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.942 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' A' ' 17' ' ' GLN . 55.9 mttp -79.32 -22.63 44.26 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 11' ' ' ARG . 81.8 mt -65.65 -46.4 89.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.49 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 67.6 mt -61.51 -42.69 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.894 175.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.508 ' HB3' ' HA ' ' A' ' 14' ' ' LYS . 54.3 tp60 -59.39 -48.65 80.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.138 177.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.91 -37.11 70.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.024 0.44 . . . . 0.0 110.555 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 97.7 mt -65.84 -42.57 90.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.609 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.5 mt -64.81 -37.7 88.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.746 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.91 -41.77 83.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.555 175.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.78 -44.41 93.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.095 0.474 . . . . 0.0 110.572 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 95.7 mt -61.59 -37.36 83.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.66 -178.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.0 p -77.79 -30.42 16.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.787 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -65.37 -38.66 90.72 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.992 0.425 . . . . 0.0 110.721 176.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.536 ' HA ' HH21 ' B' ' 11' ' ' ARG . 78.8 mm-40 -83.15 -14.94 52.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.153 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 56.78 48.84 15.39 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.234 0.54 . . . . 0.0 110.848 -177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.767 ' HA ' HD23 ' A' ' 32' ' ' LEU . 34.6 m -70.77 140.9 17.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.894 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.538 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 9.5 p -92.01 168.44 13.0 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.737 173.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 93.5 Cg_exo -45.26 -58.31 1.67 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.948 2.432 . . . . 0.0 113.462 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.69 -40.32 94.57 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 111.216 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.767 HD23 ' HA ' ' A' ' 28' ' ' VAL . 58.6 tp -65.17 -47.1 78.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.378 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.92 -49.46 77.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.139 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.04 -37.81 83.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 111.121 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.3 ttp -65.55 -45.75 82.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HA ' HG12 ' B' ' 16' ' ' ILE . 72.2 m -70.41 -45.46 65.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.181 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.557 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.8 mt -62.22 -44.06 97.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.697 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.59 -45.04 90.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.211 -0.519 . . . . 0.0 112.373 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -66.76 -36.29 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.998 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.62 84.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.683 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 37' ' ' LEU . 62.8 t -61.35 -40.92 87.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.595 178.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.2 m -55.32 -46.99 76.31 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 40.9 t30 -60.01 -43.22 95.38 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.719 0.295 . . . . 0.0 110.919 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -65.93 -47.84 83.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.092 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.534 HD13 ' HB ' ' A' ' 57' ' ' VAL . 58.6 mt -67.8 -30.16 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.823 0.344 . . . . 0.0 111.263 -178.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.05 -23.71 67.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.969 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 72.7 mt-30 -82.03 -10.45 59.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.466 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 41.1 t -79.29 136.71 56.57 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.896 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.07 148.2 93.51 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.531 2.154 . . . . 0.0 112.78 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' CD ' HH21 ' A' ' 53' ' ' ARG . 3.4 tp10 -51.16 -33.06 25.35 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.573 -173.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -53.24 -43.3 67.21 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.774 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.57 2.74 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.808 -174.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 37.6 ttp180 -64.9 -34.42 78.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.821 -175.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.32 -30.48 8.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.381 0.61 . . . . 0.0 109.826 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -40.3 74.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.524 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.68 -40.4 83.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.534 ' HB ' HD13 ' A' ' 45' ' ' ILE . 7.3 p -70.06 -33.83 56.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.621 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -65.68 -47.53 75.14 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -61.77 -38.05 86.57 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.586 176.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -58.76 -51.31 70.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.175 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.574 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 51.7 p -65.64 -35.64 81.39 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.249 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -61.6 -50.28 73.22 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.339 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.28 90.49 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.469 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.19 -60.56 3.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.039 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -61.2 -37.21 82.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.105 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -59.78 -48.8 80.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.093 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.2 m -72.36 -26.91 62.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.439 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -77.68 -46.01 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.433 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.5 mt -65.79 -34.91 79.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 111.386 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -72.57 -68.18 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 26.49 -100.22 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.733 1.271 . . . . 0.0 113.328 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.4 m80 37.64 -100.96 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.755 0.822 . . . . 0.0 111.644 -173.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -130.15 120.02 23.91 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -76.24 85.8 3.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.566 0.698 . . . . 0.0 110.652 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -136.34 130.06 32.29 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.83 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.9 t60 . . . . . 0 C--N 1.315 -0.929 0 CA-C-O 118.688 -0.672 . . . . 0.0 110.043 -176.762 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.709 0.29 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.71 121.09 7.09 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.625 2.217 . . . . 0.0 112.956 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt -99.33 -170.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.562 174.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 48.1 t -65.02 105.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.116 0.484 . . . . 0.0 109.811 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -124.13 -165.36 1.35 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.673 -174.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -96.28 17.16 16.46 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.067 0.46 . . . . 0.0 110.023 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 61.55 -167.68 0.19 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.706 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -96.54 117.79 31.67 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 174.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.412 ' HA ' ' HB ' ' B' ' 12' ' ' VAL . 48.7 m-80 -59.4 -26.74 65.39 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.279 0.362 . . . . 0.0 111.145 -173.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -55.7 -56.19 23.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.966 0.412 . . . . 0.0 110.142 173.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.551 ' O ' HG13 ' B' ' 15' ' ' ILE . 64.8 ttt180 -69.23 -35.09 75.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.592 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.438 ' O ' HG13 ' B' ' 16' ' ' ILE . 78.5 t -55.77 -45.02 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.878 0.371 . . . . 0.0 110.08 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -72.05 -32.6 67.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.613 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -55.58 -45.37 77.39 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.551 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.0 mt -60.2 -47.38 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.345 177.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.484 HG12 ' HA ' ' A' ' 36' ' ' CYS . 64.5 mt -57.95 -49.28 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 178.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -65.11 -35.88 82.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.968 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -67.22 -42.77 83.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 109.827 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 96.2 mt -62.74 -43.72 98.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.589 176.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.545 HD23 HD12 ' B' ' 23' ' ' LEU . 95.9 mt -64.82 -31.01 72.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.253 0.549 . . . . 0.0 110.252 176.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' B' ' 25' ' ' LYS . 4.0 t70 -69.2 -36.76 77.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.831 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.555 ' HA ' ' HD3' ' B' ' 25' ' ' LYS . 99.5 t -67.16 -38.61 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.255 173.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.545 HD12 HD23 ' B' ' 20' ' ' LEU . 85.7 mt -62.85 -35.76 81.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.006 178.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.74 -22.45 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.483 177.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.555 ' HD3' ' HA ' ' B' ' 22' ' ' VAL . 9.5 mtpm? -55.67 -51.8 66.03 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.979 0.418 . . . . 0.0 110.459 172.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.52 ' HG3' HG12 ' A' ' 15' ' ' ILE . 14.3 mm-40 -89.22 -8.26 53.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.054 -175.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 53.42 68.57 0.82 Allowed 'General case' 0 N--CA 1.463 0.192 0 O-C-N 124.025 0.828 . . . . 0.0 110.923 -172.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.673 ' HA ' HD23 ' B' ' 32' ' ' LEU . 32.4 m -81.8 137.95 20.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.485 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 40.4 p -83.56 168.05 24.67 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 74.2 Cg_exo -49.01 -47.53 21.34 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.256 1.97 . . . . 0.0 112.358 177.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.27 -52.95 63.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.224 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' B' ' 28' ' ' VAL . 59.5 tp -62.0 -41.29 97.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.104 -178.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.7 -51.75 68.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.357 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.72 -39.1 90.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.717 0.294 . . . . 0.0 111.094 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 47.8 ttp -66.12 -32.79 74.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.162 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 69.3 m -82.98 -46.56 12.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.883 0.373 . . . . 0.0 110.771 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.616 ' O ' HG23 ' B' ' 41' ' ' VAL . 94.0 mt -63.72 -52.81 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.443 -177.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.33 -30.32 73.8 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.074 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' B' ' 35' ' ' MET . 23.0 t-20 -69.31 -46.64 66.64 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.431 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -62.8 -39.99 95.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.824 177.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.616 HG23 ' O ' ' B' ' 37' ' ' LEU . 98.0 t -57.63 -49.54 80.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.099 176.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 41.1 m -61.61 -37.63 84.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.8 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -63.89 -33.14 75.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.004 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.431 HG12 ' O ' ' B' ' 40' ' ' ALA . 46.9 mm -79.41 -45.34 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.689 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.515 HG22 ' HG3' ' B' ' 53' ' ' ARG . 58.9 mt -63.42 -28.3 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.206 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -13.06 61.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.462 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -93.03 -2.6 55.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.299 0.571 . . . . 0.0 110.158 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -97.49 134.34 22.67 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.758 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.31 136.35 19.4 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.082 2.521 . . . . 0.0 112.282 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.469 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 24.6 mt-10 -58.48 -35.46 72.23 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -169.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 43.3 m -61.36 -26.18 67.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.773 0.32 . . . . 0.0 111.604 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -116.94 -3.97 11.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.945 0.402 . . . . 0.0 110.644 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.515 ' HG3' HG22 ' B' ' 45' ' ' ILE . 42.4 ttm180 -63.79 -42.18 97.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.55 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.46 -31.9 55.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.396 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.58 -46.52 46.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.487 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.46 -36.38 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.413 ' HB ' HD13 ' B' ' 45' ' ' ILE . 8.7 p -71.14 -36.98 64.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.407 178.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.18 -46.75 73.02 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -55.39 -41.11 72.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.623 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -61.64 -51.17 69.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.261 177.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.574 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 56.0 p -64.24 -37.95 89.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.491 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.11 -44.81 75.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.258 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.81 87.99 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.471 ' O ' HG23 ' B' ' 68' ' ' VAL . 40.3 mt -56.68 -54.74 42.66 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.546 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -52.96 -49.04 66.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.999 0.428 . . . . 0.0 111.042 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -61.47 -50.89 70.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.117 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 34.1 p -67.38 -27.97 67.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -174.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 64' ' ' LEU . 77.2 t -69.39 -38.59 77.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 175.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.47 -35.91 65.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.054 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' B' ' 71' ' ' HIS . 30.6 mm-40 -82.62 -26.2 32.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.727 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . 0.425 ' HB3' ' O ' ' B' ' 70' ' ' GLU . 50.6 t60 72.84 -52.47 0.71 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.564 0.746 . . . . 0.0 110.724 -174.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -103.58 126.58 50.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.564 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -72.84 122.36 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.442 176.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -109.52 -36.79 5.88 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.428 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -146.41 -12.89 0.46 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.078 0.466 . . . . 0.0 110.847 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 74.2 m80 . . . . . 0 C--O 1.246 0.919 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.39 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.772 0.32 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.08 152.16 50.69 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.935 2.424 . . . . 0.0 112.319 -177.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 tt -88.23 160.18 2.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.466 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.8 m -73.74 20.12 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -174.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -70.18 -27.62 64.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.879 0.371 . . . . 0.0 110.737 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -89.65 28.45 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.244 0.545 . . . . 0.0 110.149 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.409 ' HB2' ' H ' ' A' ' 8' ' ' SER . 5.9 m-85 58.95 -102.8 0.15 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.668 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.409 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 5.4 p -159.89 124.59 3.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.932 177.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -62.99 -32.54 73.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.255 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -53.96 -42.54 69.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.096 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.508 ' O ' HG13 ' A' ' 15' ' ' ILE . 72.0 ttt180 -72.97 -40.27 65.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.446 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 16' ' ' ILE . 83.5 t -55.89 -51.16 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.609 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -60.31 -37.68 81.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.575 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -65.96 -48.43 71.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.378 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 11' ' ' ARG . 70.8 mt -60.79 -42.23 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.562 0.22 . . . . 0.0 111.046 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.442 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.4 mt -59.9 -46.33 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 110.151 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.31 -40.98 97.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.434 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -39.34 93.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.416 HD13 HD23 ' B' ' 37' ' ' LEU . 95.9 mt -66.41 -42.34 87.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.455 176.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 96.3 mt -63.11 -39.58 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.377 177.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -63.1 -31.26 72.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.0 t -64.0 -46.88 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.13 -37.14 84.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.3 t -75.38 -34.26 29.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.01 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 25' ' ' LYS . 2.2 tmmt? -63.25 -37.65 88.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.086 0.47 . . . . 0.0 110.029 177.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.509 ' HG3' HG12 ' B' ' 15' ' ' ILE . 70.3 mm-40 -79.29 -26.22 42.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.589 175.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 61.01 60.95 1.71 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.62 0.724 . . . . 0.0 109.607 -172.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.444 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.2 m -83.0 160.44 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.593 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.431 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 56.8 p -90.27 168.75 13.63 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 29' ' ' THR . 50.0 Cg_exo -54.05 -42.79 64.01 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.007 1.805 . . . . 0.0 111.2 172.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.76 -51.31 65.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.855 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.532 HD11 HG22 ' B' ' 12' ' ' VAL . 40.9 tp -63.44 -39.16 93.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.783 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.33 -53.11 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.948 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.98 -42.36 94.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.5 ttp -63.31 -42.06 98.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.963 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.6 m -70.52 -46.16 64.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.786 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.557 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.0 mt -61.29 -43.45 98.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.32 -45.2 94.54 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.461 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.427 ' HA ' HG22 ' A' ' 42' ' ' THR . 28.0 m-80 -67.78 -33.15 74.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.685 178.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.57 -42.76 91.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.68 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 37' ' ' LEU . 89.0 t -65.24 -47.22 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 39' ' ' ASN . 11.9 t -65.79 -24.72 66.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.228 -176.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -76.89 -19.25 57.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.75 0.309 . . . . 0.0 110.975 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.4 mm -86.96 -43.09 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.239 0.542 . . . . 0.0 109.835 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.588 HG22 ' HG3' ' A' ' 53' ' ' ARG . 47.7 mt -69.72 -19.84 23.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.739 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.44 -9.49 58.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.739 0.304 . . . . 0.0 111.381 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -84.51 -13.99 50.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.383 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.51 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 27.6 m -100.47 159.95 28.29 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.674 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.51 ' HD2' ' HB ' ' A' ' 48' ' ' VAL . 13.8 Cg_endo -56.7 146.6 76.13 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.963 2.442 . . . . 0.0 112.027 177.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -53.96 -40.5 66.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.231 -173.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.4 m -57.38 -50.36 73.21 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.921 0.391 . . . . 0.0 111.257 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' ' 56' ' ' VAL . 99.2 mttt -74.79 -29.88 61.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.956 0.407 . . . . 0.0 110.349 178.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.588 ' HG3' HG22 ' A' ' 45' ' ' ILE . 39.5 ttm180 -52.59 -48.55 66.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.678 -176.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.68 -43.64 90.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.582 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.27 83.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.987 0.422 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 52' ' ' LYS . 70.0 t -65.66 -49.07 80.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.51 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.0 p -66.87 -34.6 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.152 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -35.77 81.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.178 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -73.52 -39.93 64.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.88 0.372 . . . . 0.0 110.608 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -63.46 -46.79 84.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.405 HG22 HG22 ' B' ' 61' ' ' THR . 20.4 p -64.46 -34.84 79.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.085 -178.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -63.39 -48.37 78.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.325 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.88 75.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.196 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 68' ' ' VAL . 32.4 mt -61.79 -55.43 30.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.296 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -62.53 -36.68 83.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.795 0.331 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -60.6 -47.11 87.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.114 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 p -74.02 -32.62 63.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.558 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 64' ' ' LEU . 73.5 t -69.26 -44.93 80.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.693 0.282 . . . . 0.0 110.954 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.55 -33.92 76.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.968 0.413 . . . . 0.0 110.625 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -84.7 5.23 29.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.438 0.637 . . . . 0.0 110.246 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.53 -8.2 38.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.879 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -77.92 104.42 8.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.645 176.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.8 t60 50.34 75.17 0.18 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.644 0.59 . . . . 0.0 110.184 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -77.46 130.12 36.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -129.76 94.22 3.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.49 0.662 . . . . 0.0 110.772 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 117.905 -1.045 . . . . 0.0 108.813 177.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.9 mtt . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.426 0.155 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.39 -83.56 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.456 2.104 . . . . 0.0 110.516 170.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 12.8 mt 51.87 40.64 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-O 121.554 0.692 . . . . 0.0 111.133 173.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.426 ' HB ' ' HA ' ' B' ' 7' ' ' TYR . 6.0 m -68.26 123.6 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.404 177.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.4 m -56.44 -66.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.887 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -133.16 34.59 3.55 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 174.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.426 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 50.2 m-85 73.59 153.51 0.14 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.949 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.41 ' O ' HG23 ' B' ' 12' ' ' VAL . 62.3 m -94.61 130.99 40.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.286 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -55.85 -44.35 77.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.423 -176.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -56.87 -46.95 81.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.468 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.601 ' O ' HG13 ' B' ' 15' ' ' ILE . 40.2 ttt85 -63.76 -49.67 72.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.887 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.532 HG22 HD11 ' A' ' 32' ' ' LEU . 91.0 t -58.86 -50.03 80.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.469 -178.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' B' ' 16' ' ' ILE . 38.3 mt-10 -67.15 -30.89 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.287 -177.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -68.25 -35.37 77.8 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.236 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.601 HG13 ' O ' ' B' ' 11' ' ' ARG . 65.9 mt -62.71 -46.91 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' B' ' 13' ' ' GLU . 53.0 mt -59.32 -47.2 91.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.357 176.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -62.36 -38.25 88.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.953 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.46 -36.14 71.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 110.211 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 98.3 mt -62.56 -46.34 88.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.886 173.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.475 HD23 HD12 ' B' ' 23' ' ' LEU . 96.4 mt -63.64 -31.66 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.359 177.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.77 -41.51 99.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.407 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.476 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 57.7 t -66.3 -33.18 61.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.185 0.517 . . . . 0.0 110.309 176.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.475 HD12 HD23 ' B' ' 20' ' ' LEU . 87.6 mt -67.75 -37.87 82.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.59 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 62.9 t -74.02 -35.6 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.063 0.459 . . . . 0.0 110.055 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 60.8 tttt -51.08 -45.91 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.86 174.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.46 ' HB2' HG13 ' B' ' 28' ' ' VAL . 46.6 mm-40 -92.08 -9.04 44.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.569 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 55.46 45.66 24.72 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.248 0.547 . . . . 0.0 109.884 -176.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.46 HG13 ' HB2' ' B' ' 26' ' ' GLU . 34.1 m -63.89 151.44 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.185 -173.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.443 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 23.0 p -93.46 167.92 13.02 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.02 172.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 74.5 Cg_exo -50.53 -43.52 44.58 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.233 1.955 . . . . 0.0 112.185 176.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.77 -55.94 27.91 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.317 177.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 37.7 tp -67.22 -40.27 86.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.159 -174.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.12 -55.99 23.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.135 -177.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.1 -35.19 80.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.173 -176.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttp -63.39 -48.51 77.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 74.0 m -69.95 -40.19 75.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.544 ' O ' HG23 ' B' ' 41' ' ' VAL . 80.8 mt -62.66 -44.59 95.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.675 0.274 . . . . 0.0 110.852 178.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.27 -44.33 96.59 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.66 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.467 ' HA ' HG22 ' B' ' 42' ' ' THR . 29.1 m-80 -66.03 -32.14 73.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.985 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.39 -43.53 77.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.369 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 37' ' ' LEU . 57.3 t -65.15 -46.92 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.467 HG22 ' HA ' ' B' ' 39' ' ' ASN . 12.2 t -67.2 -23.0 65.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.965 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 67.3 t30 -75.26 -39.53 59.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.185 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -69.39 -41.82 80.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.24 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.547 HG22 ' HG3' ' B' ' 53' ' ' ARG . 67.6 mt -66.48 -22.92 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.48 -1.8 47.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.293 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 77.2 mt-30 -99.65 -15.18 18.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.823 0.345 . . . . 0.0 111.086 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.485 ' HB ' ' HD2' ' B' ' 52' ' ' LYS . 30.1 m -94.95 153.22 39.94 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.528 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.475 ' HG2' ' HG2' ' B' ' 52' ' ' LYS . 9.9 Cg_endo -52.3 142.92 45.18 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.03 2.486 . . . . 0.0 111.915 177.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.507 ' HA ' ' CB ' ' B' ' 53' ' ' ARG . 32.2 mt-10 -63.59 -24.91 68.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.801 -174.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -56.73 -43.87 81.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.008 0.433 . . . . 0.0 110.609 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.485 ' HD2' ' HB ' ' B' ' 48' ' ' VAL . 19.4 ptpt -96.78 -15.86 21.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.561 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.547 ' HG3' HG22 ' B' ' 45' ' ' ILE . 42.1 ttm180 -57.86 -42.58 84.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.49 -175.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.95 -34.62 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.156 0.503 . . . . 0.0 110.34 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.33 -42.84 58.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.743 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.04 -35.65 75.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -176.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.542 ' HB ' HD13 ' B' ' 45' ' ' ILE . 7.1 p -76.62 -33.82 22.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.319 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' B' ' 62' ' ' LYS . 29.8 t70 -65.97 -44.21 85.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.919 0.39 . . . . 0.0 110.175 177.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -73.35 -29.28 62.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.033 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.57 -53.55 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.405 HG22 HG22 ' A' ' 61' ' ' THR . 24.3 p -65.16 -38.57 90.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.766 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.55 ' HB2' ' HE3' ' B' ' 62' ' ' LYS . 23.6 ttmt -56.91 -47.34 80.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.001 173.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.1 -32.79 72.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.391 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 61' ' ' THR . 58.0 mt -58.54 -49.48 77.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.679 0.276 . . . . 0.0 110.467 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.539 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 47.2 mttm -59.24 -42.77 91.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.867 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -61.04 -46.36 91.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.325 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.8 p -74.59 -30.34 61.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.758 -175.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -71.0 -31.57 45.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.661 0.267 . . . . 0.0 111.284 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 80.6 mt -61.42 -53.29 58.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.607 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' B' ' 72' ' ' HIS . 35.6 mt-10 -101.32 -56.72 2.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 111.731 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 71.51 -14.54 0.48 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.181 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.443 ' H ' ' C ' ' B' ' 70' ' ' GLU . 36.9 m80 -79.34 -38.73 34.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.242 0.544 . . . . 0.0 109.849 176.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -133.85 152.47 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.004 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -89.37 62.7 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.016 0.912 . . . . 0.0 108.743 169.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -82.99 143.55 30.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.382 -1.281 . . . . 0.0 110.74 -173.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.249 179.743 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.485 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 66.4 mtt . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 1.7 Cg_endo -83.42 171.88 10.82 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.279 2.653 . . . . 0.0 111.479 177.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -88.15 114.49 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.1 153.45 8.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.649 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -146.6 -156.34 0.7 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.045 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.7 tptm 82.68 -5.46 1.33 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.768 0.827 . . . . 0.0 111.262 172.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 62.95 -166.57 0.22 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.379 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 12' ' ' VAL . 32.6 t -82.84 116.04 21.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.893 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -56.1 -43.32 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.391 0.432 . . . . 0.0 110.571 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 1.6 mp0 -58.88 -44.94 91.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.511 178.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.528 ' O ' HG13 ' A' ' 15' ' ' ILE . 74.1 ttt180 -66.26 -42.96 87.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.735 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 8' ' ' SER . 95.2 t -57.05 -48.46 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.703 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.2 -38.42 91.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.938 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -63.16 -42.42 99.41 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.635 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 11' ' ' ARG . 80.0 mt -62.12 -46.14 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.734 0.302 . . . . 0.0 110.513 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.473 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.6 mt -58.67 -46.01 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.276 177.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -65.33 -38.54 90.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.671 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -62.78 -40.68 98.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.247 0.546 . . . . 0.0 109.842 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.65 -43.24 90.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.596 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 94.6 mt -61.7 -35.23 77.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.632 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 24.5 m-20 -59.2 -43.33 92.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.277 176.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.9 t -60.97 -43.61 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.076 0.465 . . . . 0.0 110.701 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 HD23 ' A' ' 20' ' ' LEU . 90.7 mt -62.07 -41.73 98.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.357 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.0 t -75.02 -33.11 28.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.083 0.468 . . . . 0.0 110.516 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 21' ' ' ASP . 34.8 ttmt -60.33 -40.12 89.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.554 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.519 ' HG3' HG12 ' B' ' 15' ' ' ILE . 67.5 mm-40 -88.84 -7.43 56.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.87 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 52.36 53.13 12.86 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.766 -174.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.72 137.93 23.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.443 0.639 . . . . 0.0 111.645 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.598 HG22 ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -83.36 151.02 61.76 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.958 174.385 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.866 ' HB3' HG22 ' B' ' 48' ' ' VAL . 2.7 Cg_exo -36.35 -58.57 0.49 Allowed 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.919 3.08 . . . . 0.0 113.554 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.0 -52.8 59.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.408 ' HB2' ' CZ ' ' B' ' 7' ' ' TYR . 66.8 tp -59.61 -44.71 93.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.274 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.7 76.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.157 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 99.1 mt -59.33 -42.87 92.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.7 ttp -61.85 -44.3 97.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.6 m -68.89 -48.08 64.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.823 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 41' ' ' VAL . 98.0 mt -60.96 -42.42 98.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.82 96.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.915 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -66.82 -36.51 82.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.685 0.243 . . . . 0.0 111.092 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.95 -47.36 80.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.56 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 37' ' ' LEU . 48.3 t -60.87 -50.87 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.524 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.0 m -57.52 -29.94 64.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.778 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -75.84 -46.7 28.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.333 -0.229 . . . . 0.0 111.272 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 tt -74.71 -26.53 19.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.498 -174.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 41' ' ' VAL . 70.4 mt -65.53 -29.49 47.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.032 0.444 . . . . 0.0 110.308 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.1 -21.05 63.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -78.69 -24.2 45.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.947 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' B' ' 30' ' ' PRO . 19.4 t -72.08 135.98 82.31 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.557 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HG2' ' HD3' ' A' ' 52' ' ' LYS . 10.1 Cg_endo -54.91 139.16 78.87 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.821 2.347 . . . . 0.0 111.747 177.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -52.69 -35.41 55.38 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.337 -174.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 t -54.81 -30.06 56.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.492 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.498 ' HG3' HG12 ' A' ' 48' ' ' VAL . 20.2 ptmt -125.03 2.24 7.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.842 0.353 . . . . 0.0 111.072 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -68.73 -34.5 75.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.5 t -75.92 -40.8 38.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.24 -45.28 93.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.761 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.33 -35.85 75.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.672 HG22 ' HG2' ' B' ' 65' ' ' LYS . 14.0 p -78.93 -35.53 17.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.84 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.76 -50.46 72.28 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.992 0.425 . . . . 0.0 110.168 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -67.21 -28.79 68.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.185 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -62.74 -52.63 62.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.043 0.449 . . . . 0.0 109.889 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.464 HG21 ' HG3' ' B' ' 65' ' ' LYS . 47.0 p -67.41 -31.54 71.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.848 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -60.63 -54.46 45.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.231 174.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.14 99.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.887 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 68' ' ' VAL . 16.8 mt -53.19 -68.78 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.528 ' HD3' ' HA ' ' B' ' 58' ' ' ASP . 53.7 mtmt -63.1 -38.49 91.38 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -172.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -64.83 -41.87 95.4 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.703 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -70.57 -36.7 73.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.73 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 64' ' ' LEU . 74.9 t -66.83 -31.83 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 111.142 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 87.4 mt -71.09 -35.03 71.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.92 0.391 . . . . 0.0 110.582 176.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -77.65 -47.0 20.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.128 0.49 . . . . 0.0 110.742 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -90.26 24.59 2.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.757 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -54.35 -42.71 70.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.008 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.57 104.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.714 174.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -76.68 69.54 3.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.497 0.665 . . . . 0.0 110.326 -177.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -89.88 -31.12 17.46 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.97 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 . . . . . 0 C--O 1.25 1.112 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.493 174.882 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -85.61 -166.41 0.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 123.107 2.538 . . . . 0.0 112.154 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 67.9 mt -71.04 102.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.339 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.52 131.01 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.224 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -133.88 -54.05 0.87 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.411 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -99.35 16.47 22.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.295 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 79.7 m-85 61.27 -158.86 0.33 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.709 -176.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.416 ' O ' HG23 ' B' ' 12' ' ' VAL . 20.6 m -100.08 113.79 26.67 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 171.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -63.63 -24.55 67.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.688 0.28 . . . . 0.0 110.469 -176.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.34 -44.49 95.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.127 172.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.566 ' O ' HG13 ' B' ' 15' ' ' ILE . 31.9 ttt180 -73.1 -36.86 66.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.377 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 8' ' ' SER . 62.6 t -58.3 -44.3 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 175.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -61.61 -41.66 97.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.855 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -58.91 -50.03 75.56 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.738 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.3 mt -57.65 -48.25 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.764 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.54 -43.82 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.396 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -64.62 -38.65 91.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.131 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.91 -37.06 81.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.604 0.24 . . . . 0.0 110.839 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 94.8 mt -62.17 -48.26 80.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.954 0.407 . . . . 0.0 109.978 175.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.436 HD23 HD12 ' B' ' 23' ' ' LEU . 95.5 mt -65.3 -32.23 73.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.342 177.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -60.82 -44.53 96.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.646 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.63 -36.18 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.172 0.51 . . . . 0.0 110.427 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.581 HD22 HG21 ' B' ' 28' ' ' VAL . 81.7 mt -66.16 -36.49 83.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.712 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 20' ' ' LEU . 92.1 t -76.07 -38.33 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.267 175.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -52.24 -44.31 64.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.175 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.488 ' HG3' HG12 ' A' ' 15' ' ' ILE . 54.1 mm-40 -89.82 -13.95 35.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.026 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 50.65 57.14 6.95 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.394 0.616 . . . . 0.0 109.965 -170.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.581 HG21 HD22 ' B' ' 23' ' ' LEU . 22.4 m -70.6 161.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.362 -175.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 60.4 p -93.41 163.37 24.97 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.276 173.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.518 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 84.4 Cg_exo -48.71 -48.08 18.83 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.219 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.35 -43.93 93.02 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.982 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.91 -40.95 95.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.79 79.16 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.855 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 94.6 mt -59.09 -44.46 91.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 48.0 ttp -62.5 -39.92 95.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.261 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m -74.44 -49.17 23.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.758 0.313 . . . . 0.0 111.161 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.596 ' O ' HG23 ' B' ' 41' ' ' VAL . 96.8 mt -63.44 -50.27 70.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.65 -34.96 91.13 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.593 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' B' ' 35' ' ' MET . 22.4 t-20 -67.97 -41.55 82.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.491 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -63.93 -44.17 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.908 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 37' ' ' LEU . 94.3 t -56.73 -40.37 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.637 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 54.7 m -59.59 -40.13 86.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.245 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -78.63 -22.84 46.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.247 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.491 HG12 ' O ' ' B' ' 40' ' ' ALA . 38.6 mm -74.31 -45.18 47.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.92 0.39 . . . . 0.0 110.34 177.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.533 HD13 ' HB ' ' B' ' 57' ' ' VAL . 77.8 mt -63.17 -26.97 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.793 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.72 -16.97 62.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -91.39 -25.59 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.24 0.543 . . . . 0.0 110.119 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.866 HG22 ' HB3' ' A' ' 30' ' ' PRO . 34.5 t -64.83 141.89 98.45 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.527 176.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.531 ' HB2' ' HG2' ' B' ' 52' ' ' LYS . 68.9 Cg_exo -39.49 125.84 1.43 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.177 2.585 . . . . 0.0 112.891 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.485 ' HA ' ' HG3' ' B' ' 53' ' ' ARG . 29.3 tt0 -54.48 -38.89 66.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.544 -171.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -62.45 -25.27 67.89 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.531 ' HG2' ' HB2' ' B' ' 49' ' ' PRO . 19.4 ptpt -110.38 2.32 18.96 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.842 -176.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.485 ' HG3' ' HA ' ' B' ' 50' ' ' GLU . 84.5 mtt180 -58.87 -42.65 89.94 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.609 0.242 . . . . 0.0 111.625 -176.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.61 -36.19 73.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.296 0.57 . . . . 0.0 110.524 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.24 -47.63 60.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.241 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.38 -34.19 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -176.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.533 ' HB ' HD13 ' B' ' 45' ' ' ILE . 12.3 p -73.89 -36.96 46.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.971 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.528 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 36.8 t70 -71.69 -43.32 66.17 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.208 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -62.86 -32.84 74.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.143 175.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -62.94 -51.69 65.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.685 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 50.2 p -65.11 -35.42 81.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.242 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -58.91 -58.04 10.4 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.578 174.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.17 84.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.472 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.427 ' O ' HG23 ' B' ' 68' ' ' VAL . 9.3 mt -53.68 -66.41 0.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.425 177.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.672 ' HG2' HG22 ' A' ' 57' ' ' VAL . 41.5 mtmt -69.16 -19.33 64.0 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.349 -173.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -68.26 -43.81 77.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.985 0.422 . . . . 0.0 110.107 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.0 m -87.37 -18.82 29.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.623 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 64' ' ' LEU . 54.5 t -82.12 -50.02 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.67 -49.97 71.1 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.947 0.403 . . . . 0.0 110.461 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.87 86.18 2.85 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 172.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -99.82 139.32 35.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.331 -169.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -74.26 142.52 45.29 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -102.79 115.43 30.57 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -175.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -116.45 96.48 5.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.752 0.787 . . . . 0.0 109.801 177.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -161.23 108.07 1.44 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.965 -175.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.585 -0.722 . . . . 0.0 109.912 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.665 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 119.681 -0.2 . . . . 0.0 110.563 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.665 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 86.1 Cg_endo -78.59 179.69 6.26 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 121.823 1.682 . . . . 0.0 112.245 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.2 tt -84.31 129.84 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.151 0.5 . . . . 0.0 110.667 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.4 t -81.74 -29.67 10.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.21 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m 63.6 56.22 1.61 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.018 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -87.22 -31.04 20.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.536 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 65.09 -169.16 0.2 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.439 -178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.2 m -113.85 139.15 49.4 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.674 176.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -54.71 -38.2 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.716 -175.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.74 -30.98 69.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.445 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.576 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.6 ttt-85 -69.64 -47.97 61.55 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.69 -39.48 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.446 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -55.39 -48.72 73.9 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.225 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -63.41 -45.31 91.57 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.491 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 11' ' ' ARG . 72.4 mt -56.47 -47.95 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.641 0.257 . . . . 0.0 110.826 -177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.87 -40.55 87.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.06 0.457 . . . . 0.0 110.171 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -62.81 -47.83 81.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.367 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.43 -44.93 85.06 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.903 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 82.4 mt -60.63 -52.4 65.33 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.253 0.549 . . . . 0.0 110.822 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 23' ' ' LEU . 84.8 mt -65.25 -33.63 76.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.398 -178.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -62.66 -44.76 95.45 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.9 t -60.41 -43.03 93.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.28 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.422 HD12 HD23 ' A' ' 20' ' ' LEU . 98.7 mt -61.75 -47.3 85.84 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.083 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 20' ' ' LEU . 96.0 t -67.32 -38.34 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.832 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -58.12 -43.65 87.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.143 0.497 . . . . 0.0 110.658 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -79.56 -6.48 57.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.328 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.25 43.07 29.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.0 m -65.97 146.36 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.04 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.4 p -81.35 161.74 61.19 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.497 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 52.0 Cg_exo -53.82 -36.09 81.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 121.845 1.696 . . . . 0.0 110.971 174.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.45 -55.14 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.608 176.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.622 HD11 HG22 ' B' ' 12' ' ' VAL . 53.1 tp -62.72 -40.83 98.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.154 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB3' HG21 ' B' ' 44' ' ' ILE . . . -60.74 -45.06 95.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.291 -178.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.5 mt -64.22 -37.59 88.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.727 0.298 . . . . 0.0 110.898 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.5 ttp -68.02 -30.12 69.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.762 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.3 m -81.71 -50.21 9.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.9 0.381 . . . . 0.0 110.592 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.8 mt -64.9 -50.24 67.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.561 -176.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.59 82.04 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.208 -178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -70.21 -42.15 72.7 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -61.91 -43.74 98.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.667 176.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 37' ' ' LEU . 78.2 t -57.48 -47.83 84.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.27 178.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.4 m -61.25 -35.63 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -73.93 -25.79 60.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.597 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 40' ' ' ALA . 40.0 mm -83.69 -45.0 18.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.025 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.467 HD13 ' HB ' ' A' ' 57' ' ' VAL . 64.7 mt -62.33 -26.86 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 121.089 0.471 . . . . 0.0 111.084 -178.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.2 -22.88 65.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.448 . . . . 0.0 110.892 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -93.04 -8.86 41.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.254 0.549 . . . . 0.0 110.449 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.635 HG22 ' HB3' ' B' ' 30' ' ' PRO . 58.3 t -79.16 136.01 57.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.662 178.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -59.23 140.81 96.45 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.681 2.254 . . . . 0.0 111.982 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.8 -32.7 20.82 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.156 -176.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 m -53.32 -31.38 43.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -129.73 5.67 5.08 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.268 176.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -61.19 -44.33 97.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 111.184 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.0 -33.74 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.507 0.67 . . . . 0.0 110.073 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.57 -45.55 68.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.354 -177.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.7 m -63.52 -41.32 92.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.467 ' HB ' HD13 ' A' ' 45' ' ' ILE . 7.1 p -70.93 -35.53 60.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.989 -178.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.82 -43.69 65.16 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.245 178.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.69 -39.32 91.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.754 0.311 . . . . 0.0 110.304 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.54 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 63.5 t80 -57.44 -55.7 31.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.363 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.661 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 21.3 p -64.58 -38.57 91.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.707 -176.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -62.37 -57.84 9.84 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.079 0.466 . . . . 0.0 110.761 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.37 -36.95 83.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.164 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 1.2 tt -59.99 -51.48 69.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.197 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 61' ' ' THR . 10.3 mtmp? -58.55 -46.11 87.54 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.264 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.84 -23.7 61.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.843 -176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 m -81.89 -17.92 45.55 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.239 0.543 . . . . 0.0 110.752 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.3 t -85.1 -42.19 16.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 174.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 tt -66.14 -63.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.443 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -87.27 59.07 5.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.249 0.547 . . . . 0.0 109.745 176.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.408 ' CE1' HG22 ' B' ' 42' ' ' THR . 70.6 t60 -74.22 -61.61 1.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.029 -174.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.534 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -178.64 -154.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.222 178.003 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 72' ' ' HIS . 27.0 m80 75.34 97.11 0.07 Allowed 'General case' 0 N--CA 1.466 0.375 0 O-C-N 124.026 0.829 . . . . 0.0 109.792 -168.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -80.5 107.57 13.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.644 0.735 . . . . 0.0 109.096 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -81.47 -27.56 34.53 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 66.7 t60 . . . . . 0 C--O 1.244 0.812 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.56 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -73.89 91.11 0.92 Allowed 'Trans proline' 0 C--O 1.238 0.476 0 C-N-CA 122.798 2.332 . . . . 0.0 111.846 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 58.3 mt -114.66 97.88 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.081 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 41.7 t -110.7 142.94 21.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.934 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p 51.84 -140.97 0.84 Allowed 'General case' 0 CA--C 1.535 0.386 0 O-C-N 123.802 0.689 . . . . 0.0 111.412 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt 70.45 -70.08 0.16 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.441 0.696 . . . . 0.0 111.127 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 56.97 -155.3 0.32 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.583 0.552 . . . . 0.0 110.203 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.523 ' O ' HG23 ' B' ' 12' ' ' VAL . 13.7 t -127.27 118.17 23.7 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 173.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.76 -32.48 65.65 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.2 0.313 . . . . 0.0 110.758 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -55.45 -54.24 46.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.168 174.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.549 ' O ' HG13 ' B' ' 15' ' ' ILE . 63.8 ttt180 -66.42 -43.46 85.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.033 -178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.622 HG22 HD11 ' A' ' 32' ' ' LEU . 91.9 t -55.7 -57.24 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.524 -177.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.498 ' HA ' HD12 ' B' ' 16' ' ' ILE . 38.6 mt-10 -73.05 -19.77 61.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.057 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -73.61 -36.33 65.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.112 175.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.563 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 88.5 mt -61.14 -46.26 96.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 174.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' B' ' 13' ' ' GLU . 63.5 mt -56.85 -46.72 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.411 175.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -57.46 -45.68 84.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.392 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.423 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.2 t0 -65.77 -37.13 85.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.862 0.363 . . . . 0.0 110.596 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 86.5 mt -65.48 -46.4 79.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.089 0.471 . . . . 0.0 110.315 175.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 93.7 mt -61.68 -39.18 90.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.707 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.7 -41.66 86.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.879 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 99.9 t -60.49 -45.69 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.244 176.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.67 -44.34 97.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 20' ' ' LEU . 98.3 t -68.13 -42.5 85.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.073 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -58.46 -45.29 88.89 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.041 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 62.9 mm-40 -76.73 -11.44 59.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.7 -175.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 60.08 37.04 21.24 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.364 0.415 . . . . 0.0 111.039 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m -70.9 150.56 9.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.998 0.427 . . . . 0.0 111.309 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.8 p -79.11 156.7 76.55 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.576 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.635 ' HB3' HG22 ' A' ' 48' ' ' VAL . 61.5 Cg_exo -52.01 -49.09 18.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.589 2.193 . . . . 0.0 112.601 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.35 -39.59 93.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.104 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -67.03 -46.79 73.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.543 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -57.15 -48.87 77.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.125 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.41 -37.65 86.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 55.2 ttp -62.42 -46.23 89.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 110.416 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -66.19 -43.85 85.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.453 ' O ' HG23 ' B' ' 41' ' ' VAL . 93.7 mt -60.91 -43.91 97.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.812 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.13 -41.72 94.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.464 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -43.63 96.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.679 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.461 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -58.58 -49.45 77.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.873 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.0 t -59.62 -44.76 94.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.408 HG22 ' CE1' ' A' ' 71' ' ' HIS . 51.1 m -59.5 -34.45 72.61 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.508 -178.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -75.93 -32.31 59.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.668 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.461 HG12 ' O ' ' B' ' 40' ' ' ALA . 46.2 mm -67.53 -43.94 86.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.015 0.436 . . . . 0.0 110.636 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 62.7 mt -68.93 -18.82 23.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.269 0.557 . . . . 0.0 110.663 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.4 59.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.296 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -81.99 -28.65 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.311 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.534 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 26.8 m -85.95 161.13 50.89 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.734 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' B' ' 48' ' ' VAL . 13.4 Cg_endo -57.66 147.13 81.56 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.795 2.33 . . . . 0.0 111.991 176.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.513 ' HG2' ' NH1' ' B' ' 53' ' ' ARG . 36.5 mt-10 -64.28 -26.55 68.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.198 -174.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -58.31 -32.19 68.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.051 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.47 ' O ' HG22 ' B' ' 56' ' ' VAL . 19.2 ptpt -108.12 -8.62 15.76 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 120.432 -0.507 . . . . 0.0 112.028 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.513 ' NH1' ' HG2' ' B' ' 50' ' ' GLU . 92.6 mtt180 -57.31 -46.99 82.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 117.934 0.334 . . . . 0.0 111.268 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 39.5 t -70.79 -34.48 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.104 0.478 . . . . 0.0 110.34 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.27 -46.79 69.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.508 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 52' ' ' LYS . 26.9 m -69.64 -40.4 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.366 -177.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -67.6 -34.28 67.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.114 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.69 -47.35 63.54 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.185 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -62.31 -35.63 79.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.284 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -58.43 -50.74 72.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.395 174.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.661 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 46.5 p -69.18 -37.53 78.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.59 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.12 -45.1 96.07 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.154 0.502 . . . . 0.0 110.047 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.53 -50.08 75.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.747 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.3 -52.27 46.72 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.35 0.406 . . . . 0.0 111.554 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -53.71 -52.85 58.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.773 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.85 -17.78 55.06 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -175.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' B' ' 71' ' ' HIS . 64.0 m -83.3 -26.94 30.17 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.201 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.0 t -87.67 -53.02 10.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.607 0.242 . . . . 0.0 111.096 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.08 -14.28 61.81 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -173.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -118.87 19.5 13.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.396 0.617 . . . . 0.0 109.987 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . 0.611 ' HB2' ' O ' ' B' ' 67' ' ' SER . 15.4 t-80 -82.5 2.48 32.69 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.101 -176.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.38 77.29 3.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.237 0.542 . . . . 0.0 111.625 -177.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -102.12 -80.52 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.354 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 43.2 m80 57.82 24.86 11.28 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.636 0.585 . . . . 0.0 110.667 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -150.22 149.17 29.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.825 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.566 -0.73 . . . . 0.0 109.154 173.327 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.601 ' N ' ' HD2' ' A' ' 2' ' ' PRO . 51.2 ttm . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 1' ' ' MET . 13.8 Cg_endo -58.15 -174.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.986 1.791 . . . . 0.0 112.119 171.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.2 tt -48.97 112.26 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 121.591 0.71 . . . . 0.0 111.417 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.3 p -102.32 114.46 41.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.671 0.748 . . . . 0.0 111.48 -174.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 p -94.65 3.93 54.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.18 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? 65.66 14.84 9.75 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.776 -176.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 67.31 127.21 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.844 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 m -78.02 109.68 12.3 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 174.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -51.77 -43.64 63.07 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.222 0.326 . . . . 0.0 110.701 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -58.23 -43.22 87.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.941 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.5 ' O ' HG13 ' A' ' 15' ' ' ILE . 55.4 ttt180 -66.42 -45.53 79.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.58 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.447 HG22 HD11 ' B' ' 32' ' ' LEU . 47.8 t -59.59 -44.87 94.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.194 0.521 . . . . 0.0 110.013 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -56.9 -42.37 79.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.562 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -65.78 -49.3 68.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.252 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 79.5 mt -56.87 -44.13 81.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.745 -178.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.495 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.0 mt -60.78 -40.36 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.221 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -64.77 -46.36 82.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.549 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -57.55 -38.47 74.82 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.994 0.426 . . . . 0.0 110.682 178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 96.6 mt -65.0 -44.27 89.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.42 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 97.1 mt -63.05 -37.28 86.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.616 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.77 -43.83 90.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.71 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.82 -41.74 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.669 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD22 HG21 ' A' ' 28' ' ' VAL . 89.8 mt -60.58 -45.83 92.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.836 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.07 -39.75 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.03 0.443 . . . . 0.0 110.313 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -55.08 -34.31 63.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.586 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' HG3' HG12 ' B' ' 15' ' ' ILE . 81.2 mm-40 -98.6 -9.9 24.15 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -177.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 55.3 46.94 22.52 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.411 0.624 . . . . 0.0 110.284 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.499 HG13 ' HB2' ' A' ' 26' ' ' GLU . 17.2 m -65.93 119.49 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.007 -175.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 32' ' ' LEU . 9.1 t -67.05 149.99 98.19 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 169.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -40.62 -44.3 4.5 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.131 2.554 . . . . 0.0 113.271 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -56.66 18.96 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.295 0.569 . . . . 0.0 110.295 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.547 ' H ' HG23 ' A' ' 29' ' ' THR . 60.5 tp -63.07 -42.99 99.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.704 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.05 -57.75 11.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.093 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.79 -33.22 75.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.201 -176.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.4 ttp -64.42 -49.08 72.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.661 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.2 m -67.5 -43.54 80.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.96 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD13 HG22 ' B' ' 41' ' ' VAL . 96.1 mt -61.09 -45.88 92.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.867 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.35 -45.92 93.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.759 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -68.54 -37.6 80.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.608 0.242 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -60.49 -49.89 75.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.563 177.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.598 HG11 ' CE2' ' A' ' 60' ' ' PHE . 78.8 t -61.69 -41.4 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.718 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.459 ' HA ' HG22 ' B' ' 68' ' ' VAL . 99.3 m -56.61 -44.77 81.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 178.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.547 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 59.1 t30 -65.94 -36.93 84.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.799 0.333 . . . . 0.0 110.567 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 40' ' ' ALA . 42.2 mm -63.42 -49.64 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.926 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.533 HG22 ' HG3' ' A' ' 53' ' ' ARG . 55.0 mt -73.33 -21.61 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.095 0.474 . . . . 0.0 110.934 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.56 -18.46 62.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.992 0.425 . . . . 0.0 110.859 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 43' ' ' ASN . 69.1 mt-30 -83.36 -8.6 59.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.454 0.645 . . . . 0.0 109.902 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.6 t -91.85 127.53 49.54 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.55 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -51.67 136.75 50.28 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.878 2.385 . . . . 0.0 112.219 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.26 -21.92 37.77 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -175.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -59.9 -34.64 73.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.813 0.339 . . . . 0.0 111.148 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -125.47 15.96 8.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.103 0.478 . . . . 0.0 110.808 -177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.533 ' HG3' HG22 ' A' ' 45' ' ' ILE . 42.2 ttm180 -80.12 -36.57 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.909 -177.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.85 -39.48 84.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.26 -177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -49.76 76.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.444 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.5 m -71.19 -41.24 75.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.532 HG22 ' HG2' ' B' ' 65' ' ' LYS . 10.8 p -68.85 -32.93 56.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.255 -178.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -75.47 -36.31 60.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.827 0.346 . . . . 0.0 110.495 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -72.12 -35.73 69.21 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.768 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.598 ' CE2' HG11 ' A' ' 41' ' ' VAL . 73.3 t80 -58.62 -54.62 45.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.401 0.62 . . . . 0.0 110.153 175.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.585 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 16.7 p -68.08 -37.43 81.22 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.429 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -56.3 -47.72 78.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.714 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.37 -36.67 79.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.315 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 68' ' ' VAL . 9.6 mt -55.78 -59.76 4.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.382 177.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.499 ' HG2' HG22 ' B' ' 57' ' ' VAL . 58.7 mtmt -60.96 -35.26 76.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.002 -176.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.6 -48.63 76.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.099 0.476 . . . . 0.0 110.746 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -74.22 -9.94 59.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.519 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 64' ' ' LEU . 78.1 t -91.3 -46.86 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.343 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 89.5 mt -62.95 -38.76 92.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.054 0.454 . . . . 0.0 110.5 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -114.06 48.82 1.05 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.42 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.473 ' HE1' HG23 ' B' ' 42' ' ' THR . 19.2 t60 -76.38 79.65 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.423 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -62.55 107.4 0.93 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.886 174.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -91.33 -24.72 19.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.556 -173.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -116.75 142.41 46.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.894 0.378 . . . . 0.0 111.414 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -163.78 -174.56 3.71 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 175.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.377 -0.821 . . . . 0.0 109.66 177.776 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.801 ' HB3' ' HD3' ' B' ' 2' ' ' PRO . 48.0 ttm . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 119.614 -0.232 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.801 ' HD3' ' HB3' ' B' ' 1' ' ' MET . 20.1 Cg_exo -66.14 145.79 79.79 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.932 1.755 . . . . 0.0 111.786 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.0 pt -97.16 -15.77 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.58 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -80.25 -36.65 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.191 0.52 . . . . 0.0 110.055 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 10.3 m -86.08 87.32 7.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.667 176.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.35 93.0 9.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.846 0.832 . . . . 0.0 111.157 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -82.04 127.65 33.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.161 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.492 ' O ' HG23 ' B' ' 12' ' ' VAL . 35.3 t -110.08 176.65 4.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.514 -178.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -56.68 -29.17 62.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.6 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -48.66 -52.8 21.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.616 174.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.581 ' O ' HG13 ' B' ' 15' ' ' ILE . 56.0 ttt180 -82.76 -33.44 27.41 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.834 -175.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 8' ' ' SER . 91.3 t -56.52 -53.61 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.59 0.233 . . . . 0.0 110.464 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -67.43 -35.67 79.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.548 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' B' ' 11' ' ' ARG . 32.5 ttmt -54.03 -48.95 69.97 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.142 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.581 HG13 ' O ' ' B' ' 11' ' ' ARG . 63.0 mt -66.97 -41.15 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.985 -178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 12' ' ' VAL . 83.1 mt -58.42 -47.6 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.697 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -67.73 -36.17 80.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.764 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.9 -49.65 76.86 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.338 0.59 . . . . 0.0 109.765 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.19 -47.25 87.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.902 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 78.4 mt -62.21 -39.96 94.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -60.37 -43.61 96.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.53 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 91.1 t -57.41 -47.48 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-O 120.99 0.424 . . . . 0.0 110.472 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.34 -48.92 75.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.238 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 20' ' ' LEU . 97.5 t -66.18 -35.65 75.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.027 -178.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -59.5 -38.59 81.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.441 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -83.47 -11.83 57.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.392 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 59.2 41.55 20.05 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.493 0.496 . . . . 0.0 110.904 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.35 139.0 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.039 -178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.625 HG23 ' H ' ' B' ' 32' ' ' LEU . 5.8 t -70.99 147.3 93.81 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.379 175.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.531 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 98.3 Cg_exo -43.86 -41.86 11.99 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.195 2.597 . . . . 0.0 113.274 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -64.33 -47.0 81.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.03 0.443 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.625 ' H ' HG23 ' B' ' 29' ' ' THR . 62.4 tp -62.14 -40.85 97.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.369 177.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.93 -49.61 76.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.666 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 84.5 mt -60.99 -40.62 94.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.976 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.4 ttp -63.64 -42.17 98.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.887 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.8 m -71.23 -48.74 49.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.657 0.265 . . . . 0.0 110.785 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.477 HD13 HG22 ' A' ' 41' ' ' VAL . 96.8 mt -62.54 -38.51 90.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.057 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.14 -44.59 96.26 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.426 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.521 ' HA ' HG22 ' B' ' 42' ' ' THR . 30.9 m-80 -68.31 -32.09 71.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.803 0.335 . . . . 0.0 110.958 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.501 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -66.18 -49.02 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.502 HG22 HD13 ' A' ' 37' ' ' LEU . 71.1 t -65.53 -44.26 94.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.09 -178.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.521 HG22 ' HA ' ' B' ' 39' ' ' ASN . 14.7 t -65.25 -25.01 67.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.281 -175.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -84.11 -21.36 31.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.316 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.501 HG12 ' O ' ' B' ' 40' ' ' ALA . 49.1 mm -77.64 -42.3 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.703 175.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.551 HG22 ' HG3' ' B' ' 53' ' ' ARG . 54.4 mt -69.58 -20.12 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.435 0.636 . . . . 0.0 110.209 178.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.43 -4.05 49.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.219 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -90.88 -29.78 17.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.472 HG22 ' O ' ' B' ' 45' ' ' ILE . 32.5 m -80.11 152.81 74.34 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.38 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -57.67 148.42 74.06 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.996 2.464 . . . . 0.0 112.446 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.41 -9.64 43.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 111.358 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.6 t -74.04 -18.13 60.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.558 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.47 ' O ' HG23 ' B' ' 56' ' ' VAL . 28.6 mtpp -125.43 -15.5 6.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.706 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.551 ' HG3' HG22 ' B' ' 45' ' ' ILE . 39.4 ttm180 -57.72 -45.96 85.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.323 -171.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 41.9 t -71.52 -38.34 67.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.089 0.471 . . . . 0.0 110.156 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.46 88.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.753 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 52' ' ' LYS . 69.9 t -63.35 -47.41 92.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.544 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.499 HG22 ' HG2' ' A' ' 65' ' ' LYS . 8.6 p -68.15 -38.74 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.412 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.49 -46.61 79.05 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 109.973 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.11 -38.81 92.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.031 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.444 ' CE2' HG11 ' B' ' 41' ' ' VAL . 73.7 t80 -59.95 -56.32 23.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.057 176.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.585 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 19.2 p -63.98 -41.17 97.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.972 -177.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' B' ' 62' ' ' LYS . 32.6 ttmt -56.73 -55.99 27.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.781 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.32 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.511 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.25 -45.43 93.33 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.34 0.4 . . . . 0.0 110.662 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.532 ' HG2' HG22 ' A' ' 57' ' ' VAL . 7.8 mtmp? -63.22 -36.79 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.196 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.435 HE21 ' HB3' ' B' ' 66' ' ' GLN . 1.0 OUTLIER -64.62 -45.07 88.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.384 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' B' ' 71' ' ' HIS . 11.8 p -71.9 -28.94 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.284 -178.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 42' ' ' THR . 55.3 t -75.47 -40.44 41.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 177.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 69.3 mt -62.7 -50.75 69.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.718 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -126.0 90.17 3.15 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.641 0.734 . . . . 0.0 111.381 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . 0.533 ' HB2' ' O ' ' B' ' 67' ' ' SER . 18.4 t60 -116.15 36.56 4.01 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 169.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 68.37 74.02 0.28 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 113.961 -1.472 . . . . 0.0 108.239 -164.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -54.8 152.43 7.23 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.99 -176.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -85.86 81.11 8.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.287 0.565 . . . . 0.0 111.245 -167.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -107.34 5.45 27.46 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 172.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 . . . . . 0 C--O 1.244 0.771 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.429 177.222 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.71 107.36 0.87 Allowed 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.438 2.092 . . . . 0.0 111.467 176.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 pt -80.22 153.62 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.487 HG12 ' H ' ' A' ' 7' ' ' TYR . 15.0 t -88.5 142.46 12.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 p -69.53 -55.52 9.94 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -175.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -104.54 -16.91 14.9 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.167 -0.213 . . . . 0.0 111.176 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.487 ' H ' HG12 ' A' ' 4' ' ' VAL . 85.3 m-85 62.24 -160.37 0.31 Allowed 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.571 0.544 . . . . 0.0 110.628 -175.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 p -105.51 123.85 48.58 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.776 176.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.51 -46.41 80.57 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.321 0.582 . . . . 0.0 110.022 -176.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 1.5 mp0 -53.35 -42.98 67.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.926 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.581 ' O ' HG13 ' A' ' 15' ' ' ILE . 68.5 ttt180 -74.96 -41.88 58.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.995 -177.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 16' ' ' ILE . 93.6 t -55.85 -46.28 80.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 120.714 0.292 . . . . 0.0 110.673 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -73.35 -25.95 60.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -68.5 -38.99 81.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.015 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 11' ' ' ARG . 74.4 mt -62.91 -46.22 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.913 176.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.456 HG23 ' HB2' ' B' ' 40' ' ' ALA . 69.5 mt -58.13 -42.03 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.209 176.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -61.35 -46.98 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.674 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.29 -41.13 75.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.602 0.239 . . . . 0.0 111.167 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD13 HD23 ' B' ' 37' ' ' LEU . 78.7 mt -62.64 -46.38 88.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.11 0.481 . . . . 0.0 110.455 177.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' O ' HG23 ' A' ' 24' ' ' VAL . 96.9 mt -60.87 -40.06 91.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.753 178.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.11 -43.59 82.45 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.096 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.6 t -61.71 -44.93 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.074 0.464 . . . . 0.0 110.76 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.06 -44.37 92.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.906 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 20' ' ' LEU . 98.7 t -69.78 -31.55 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.931 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -64.23 -36.18 83.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.837 0.351 . . . . 0.0 110.6 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' HB2' HG13 ' A' ' 28' ' ' VAL . 56.6 mm-40 -84.36 -16.55 42.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.791 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 57.77 53.98 6.62 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.182 0.515 . . . . 0.0 109.696 -173.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.515 HG13 ' HB2' ' A' ' 26' ' ' GLU . 35.2 m -76.29 145.03 11.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.606 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.533 HG23 ' H ' ' A' ' 32' ' ' LEU . 1.2 t -75.63 145.85 79.37 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 171.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -45.98 -39.67 19.88 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.025 2.483 . . . . 0.0 112.9 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.68 -50.09 73.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.022 0.439 . . . . 0.0 110.561 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.657 HD11 HG22 ' B' ' 12' ' ' VAL . 63.2 tp -63.87 -42.56 97.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.516 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.79 -52.55 64.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.075 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.17 -40.19 95.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.044 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.64 -38.63 91.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.769 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.6 m -73.2 -45.84 53.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.414 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD13 HG22 ' B' ' 41' ' ' VAL . 94.9 mt -60.73 -42.68 97.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.187 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.81 -42.97 92.25 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.345 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -68.68 -38.18 80.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.648 0.261 . . . . 0.0 110.611 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -63.7 -46.93 83.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.75 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 37' ' ' LEU . 99.6 t -59.07 -49.47 83.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.355 178.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.6 m -58.86 -36.78 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.221 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -68.63 -36.21 78.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 110.574 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 40' ' ' ALA . 46.3 mm -72.18 -43.99 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.697 178.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.543 HG22 ' HG3' ' A' ' 53' ' ' ARG . 60.5 mt -64.58 -28.99 46.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.727 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 -19.85 65.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.306 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -87.95 -11.82 46.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.419 . . . . 0.0 110.098 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.447 HG22 ' CB ' ' B' ' 30' ' ' PRO . 40.8 t -82.05 136.34 47.21 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.965 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -45.64 129.48 11.55 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.727 2.285 . . . . 0.0 111.527 173.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.544 ' HA ' ' CB ' ' A' ' 53' ' ' ARG . 26.2 tt0 -60.72 -29.4 69.33 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -169.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -63.38 -30.24 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.651 0.262 . . . . 0.0 111.535 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -112.68 8.81 19.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.146 0.498 . . . . 0.0 110.121 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.544 ' CB ' ' HA ' ' A' ' 50' ' ' GLU . 41.6 ttm180 -74.56 -42.25 59.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.994 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.46 -31.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.927 176.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.86 -52.57 35.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.273 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.4 m -64.27 -37.01 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.101 -175.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 p -72.73 -34.68 47.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.038 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -43.51 73.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.097 0.475 . . . . 0.0 110.232 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -64.88 -38.46 91.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.223 175.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -58.29 -52.3 66.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.438 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.492 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 24.8 p -65.33 -37.77 88.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.786 -177.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 62.0 tttm -64.88 -51.51 61.57 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 120.932 0.396 . . . . 0.0 110.615 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.12 83.23 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.934 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -55.23 -58.71 6.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.378 177.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 61' ' ' THR . 46.6 mtpt -58.86 -48.31 81.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.911 -172.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 62' ' ' LYS . 4.4 pt20 -71.5 -29.38 64.73 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.043 -176.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 m -82.83 -16.55 47.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.136 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.8 t -91.1 -42.53 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.968 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.79 -37.24 85.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.16 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -95.06 16.03 17.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.205 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -85.21 70.98 10.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.224 0.535 . . . . 0.0 111.267 -175.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -128.05 -82.3 0.59 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.105 170.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -149.94 153.23 36.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.495 174.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -142.93 89.55 2.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.907 174.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -78.34 101.99 7.48 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 175.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.238 -170.784 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -56.88 -32.13 91.26 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.004 2.469 . . . . 0.0 113.275 -176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 50.0 mt -75.42 85.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.264 0.554 . . . . 0.0 110.317 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.0 p -133.68 2.45 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.405 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -75.74 82.18 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.455 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -94.2 80.5 4.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.925 0.393 . . . . 0.0 110.716 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 64.13 -175.07 0.16 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.047 174.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.417 ' O ' HG23 ' B' ' 12' ' ' VAL . 11.7 p -109.76 121.02 44.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.13 177.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -64.46 -24.26 67.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.623 -177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 1.6 mp0 -55.5 -54.97 37.31 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.155 0.502 . . . . 0.0 109.732 174.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.522 ' O ' HG13 ' B' ' 15' ' ' ILE . 24.7 ttm180 -68.59 -48.42 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.152 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.657 HG22 HD11 ' A' ' 32' ' ' LEU . 87.7 t -53.7 -50.97 47.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 120.72 0.295 . . . . 0.0 111.537 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -67.81 -34.02 75.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.42 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -63.95 -46.85 82.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.935 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 11' ' ' ARG . 84.0 mt -55.0 -50.73 60.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.44 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.575 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 66.5 mt -58.76 -44.36 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.6 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -64.25 -45.22 89.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.264 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.433 ' O ' HG23 ' B' ' 22' ' ' VAL . 2.6 m-20 -61.86 -42.03 98.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.927 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 96.0 mt -60.74 -45.1 95.61 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.584 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 91.6 mt -60.13 -43.08 95.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.93 -35.03 79.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.842 0.353 . . . . 0.0 110.603 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' B' ' 25' ' ' LYS . 59.1 t -59.15 -40.39 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.471 175.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -71.81 -37.93 70.3 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.404 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 20' ' ' LEU . 98.8 t -67.2 -40.34 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.431 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 21.1 pttp -65.59 -24.45 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.306 . . . . 0.0 111.005 -177.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.647 ' HB2' HG13 ' B' ' 28' ' ' VAL . 74.6 mm-40 -91.36 -12.58 34.5 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.717 0.294 . . . . 0.0 110.569 177.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 56.34 42.23 28.02 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.535 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' B' ' 26' ' ' GLU . 32.9 m -67.34 150.09 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.401 -178.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.76 152.43 72.18 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 171.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.514 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 83.8 Cg_exo -48.69 -48.09 18.76 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.594 2.196 . . . . 0.0 112.489 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.94 -42.55 99.24 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.07 -44.32 92.76 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.671 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.85 91.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.994 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 84.8 mt -62.05 -40.54 96.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.476 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 49.5 ttp -62.58 -40.08 95.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.748 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 72.0 m -71.64 -47.34 55.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.009 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.566 ' O ' HG23 ' B' ' 41' ' ' VAL . 89.0 mt -60.8 -52.88 63.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.37 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.64 -34.49 89.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.584 -176.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' B' ' 35' ' ' MET . 10.1 t-20 -67.39 -36.69 81.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.221 0.534 . . . . 0.0 109.846 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.456 ' HB2' HG23 ' A' ' 16' ' ' ILE . . . -71.1 -43.88 66.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.636 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 37' ' ' LEU . 61.0 t -57.49 -38.75 65.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.514 178.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.8 m -59.31 -34.55 72.45 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.973 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -76.99 -38.95 52.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.354 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.441 HG12 ' O ' ' B' ' 40' ' ' ALA . 50.2 mm -64.25 -45.56 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.198 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.542 HG22 ' HG3' ' B' ' 53' ' ' ARG . 65.4 mt -66.11 -24.87 34.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 121.287 0.565 . . . . 0.0 110.634 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.37 -19.3 61.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -86.39 -4.2 59.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.275 0.56 . . . . 0.0 110.098 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.432 HG12 ' HG3' ' B' ' 52' ' ' LYS . 52.6 t -94.33 133.38 27.26 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.294 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -51.71 138.81 49.71 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.835 2.356 . . . . 0.0 111.947 176.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.59 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 19.8 mt-10 -62.15 -27.23 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -171.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 45.3 t -57.08 -35.49 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.389 . . . . 0.0 110.87 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.432 ' HG3' HG12 ' B' ' 48' ' ' VAL . 0.7 OUTLIER -112.04 -8.69 14.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.104 179.508 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.59 ' HB3' ' HA ' ' B' ' 50' ' ' GLU . 41.9 ttm180 -62.68 -49.56 74.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 111.158 -177.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.09 -34.18 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.936 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.38 -49.72 58.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.062 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.55 -33.65 63.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -72.14 -41.02 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.893 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -38.69 89.61 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.918 0.39 . . . . 0.0 110.485 176.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -68.33 -39.99 81.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.707 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -60.2 -49.98 75.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.425 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 34.4 p -67.49 -34.18 76.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.086 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -68.86 -44.59 73.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.335 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.04 97.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.439 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 47.7 mt -58.11 -58.22 9.4 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 176.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -54.53 -48.61 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.726 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -65.79 -29.11 69.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 111.581 -176.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' B' ' 71' ' ' HIS . 20.2 m -93.08 -19.96 21.0 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 54.3 t -94.01 -39.26 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.14 -25.15 66.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.023 0.44 . . . . 0.0 110.371 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.428 ' HB3' ' H ' ' B' ' 71' ' ' HIS . 0.7 OUTLIER -98.78 -115.66 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.414 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . 0.428 ' H ' ' HB3' ' B' ' 70' ' ' GLU . 0.3 OUTLIER 64.31 168.23 0.17 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.132 0.573 . . . . 0.0 111.843 175.661 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 26.9 p80 54.64 115.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.668 1.187 . . . . 0.0 113.028 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -131.04 141.74 50.24 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.802 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.67 131.69 54.83 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 176.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -62.92 -28.55 70.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.245 0.545 . . . . 0.0 110.06 -174.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 . . . . . 0 C--O 1.247 0.942 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.123 170.567 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.408 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . 68.3 mtm . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 1' ' ' MET . 30.1 Cg_endo -63.79 118.54 5.47 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.97 2.447 . . . . 0.0 112.755 -177.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mm -126.6 96.24 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.2 m -129.38 161.88 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.034 -177.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m 59.64 78.84 0.25 Allowed 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.968 176.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -82.76 -27.44 31.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.463 0.649 . . . . 0.0 110.317 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -95.22 151.85 18.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.852 -177.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.6 t -100.8 158.74 15.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.953 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -61.04 -45.02 96.47 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 -176.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -60.93 -33.63 73.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.441 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 15' ' ' ILE . 30.5 ttt85 -67.36 -43.96 80.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.792 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 16' ' ' ILE . 48.5 t -55.84 -50.34 69.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.338 177.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -57.45 -45.59 84.58 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.165 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.09 -49.03 79.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.177 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.533 HD13 HG12 ' B' ' 28' ' ' VAL . 63.6 mt -59.51 -44.33 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.815 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 12' ' ' VAL . 78.0 mt -59.5 -47.24 91.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.545 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -64.31 -39.35 93.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.983 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.7 t70 -68.67 -34.76 76.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.436 -178.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.475 HD13 HD23 ' B' ' 37' ' ' LEU . 99.0 mt -66.52 -47.9 71.46 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.166 0.508 . . . . 0.0 110.163 174.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.89 -28.44 69.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.439 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.556 ' HA ' HG12 ' A' ' 24' ' ' VAL . 13.4 t70 -68.69 -37.83 79.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.375 177.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 18' ' ' ASP . 66.6 t -60.53 -37.85 76.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.44 0.638 . . . . 0.0 109.602 175.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.97 -34.34 73.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.232 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.556 HG12 ' HA ' ' A' ' 21' ' ' ASP . 3.6 p -82.53 -21.06 9.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 110.344 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 55.1 mttp -57.86 -39.96 79.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.203 0.525 . . . . 0.0 109.918 171.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.543 ' HB2' HG13 ' A' ' 28' ' ' VAL . 17.7 mm-40 -96.46 -25.64 15.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.834 -176.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 59.28 59.65 2.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.569 0.699 . . . . 0.0 109.681 -170.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.543 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.0 m -79.1 153.97 4.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.585 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 p -79.09 157.79 75.47 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.706 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.46 -42.19 56.41 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.471 2.114 . . . . 0.0 111.928 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.2 -51.54 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.965 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.442 HD11 HG22 ' B' ' 12' ' ' VAL . 52.3 tp -65.98 -41.88 90.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.675 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.04 -54.78 43.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.32 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.66 -35.6 78.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.319 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.1 ttp -66.52 -43.64 84.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.1 m -71.97 -42.55 66.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.883 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 41' ' ' VAL . 93.1 mt -61.08 -44.29 97.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.034 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.01 -43.8 93.07 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.607 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -62.41 -38.92 91.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 111.19 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.3 -38.49 90.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.616 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 37' ' ' LEU . 57.9 t -67.18 -49.5 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.809 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.8 m -61.32 -33.17 73.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.041 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -63.03 -30.02 71.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.04 0.448 . . . . 0.0 110.836 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -82.32 -42.68 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.308 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.53 HD13 ' HB ' ' A' ' 57' ' ' VAL . 68.1 mt -64.52 -32.78 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.302 -178.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.73 -10.85 51.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.842 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -91.19 -5.71 54.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.42 . . . . 0.0 110.7 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.469 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 17.0 t -90.36 139.99 26.94 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.677 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.67 148.18 90.2 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.122 1.881 . . . . 0.0 112.255 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.42 ' CD ' HH21 ' A' ' 53' ' ' ARG . 4.0 tp10 -59.68 -19.13 47.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.856 -170.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 t -63.34 -32.43 73.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.81 7.84 3.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.441 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.469 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 37.4 ttp180 -66.81 -37.95 85.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.998 0.428 . . . . 0.0 110.706 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.7 t -73.24 -31.31 33.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.201 0.524 . . . . 0.0 110.024 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.28 -44.3 72.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.553 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.41 -37.96 79.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.53 ' HB ' HD13 ' A' ' 45' ' ' ILE . 7.4 p -73.92 -29.22 25.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.883 0.373 . . . . 0.0 110.445 177.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.34 -52.08 37.34 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -60.6 -37.72 82.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.504 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.409 ' HE1' ' O ' ' B' ' 34' ' ' LEU . 64.8 t80 -57.46 -60.1 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.316 176.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.508 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 24.0 p -66.16 -36.79 84.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.39 -176.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 16.2 tptm -60.45 -56.05 26.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.964 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.04 -30.39 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.573 -176.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 5.1 tt -62.43 -47.23 84.99 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.596 ' HG2' HG22 ' B' ' 57' ' ' VAL . 53.5 mtmt -66.9 -33.89 76.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.043 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 62' ' ' LYS . 78.2 mt-30 -62.9 -29.16 70.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 110.447 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -87.69 -20.7 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.248 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 64' ' ' LEU . 73.7 t -93.69 -41.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.745 -178.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.94 -35.73 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -94.26 -94.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 60.38 -74.74 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.854 0.862 . . . . 0.0 112.657 175.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -58.69 116.37 3.67 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 123.379 0.672 . . . . 0.0 110.459 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -91.88 -70.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -158.88 148.22 18.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.458 0.647 . . . . 0.0 112.619 -175.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.469 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 12.5 p80 -92.5 161.45 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 164.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' A' ' 75' ' ' HIS . 58.4 t60 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.981 -0.533 . . . . 0.0 110.329 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.13 124.93 12.79 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.315 2.01 . . . . 0.0 111.78 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.41 HG13 HG23 ' B' ' 4' ' ' VAL . 36.1 pt -67.3 168.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.829 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.434 ' O ' HG12 ' B' ' 4' ' ' VAL . 22.0 t 69.06 4.18 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.7 0.762 . . . . 0.0 110.598 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -110.82 116.76 31.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.817 175.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -79.48 81.71 5.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.0 0.428 . . . . 0.0 110.784 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 61.44 -168.01 0.19 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.459 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 5.4 p -110.88 124.71 52.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.446 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -57.88 -38.43 75.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.753 0.311 . . . . 0.0 110.815 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' B' ' 10' ' ' GLU . 2.5 mp0 -57.87 -41.15 81.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.91 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.545 ' O ' HG13 ' B' ' 15' ' ' ILE . 51.2 ttt180 -74.35 -45.17 48.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.691 -176.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.442 HG22 HD11 ' A' ' 32' ' ' LEU . 59.0 t -57.95 -42.84 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.164 177.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.81 -51.09 70.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.866 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -59.25 -44.4 92.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.287 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.545 HG13 ' O ' ' B' ' 11' ' ' ARG . 71.7 mt -59.43 -46.85 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.694 0.283 . . . . 0.0 110.789 -177.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.3 -44.55 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.571 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.85 -47.85 81.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.766 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -43.04 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.316 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 96.0 mt -60.71 -43.36 97.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.562 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.4 -35.82 80.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.671 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -63.9 -45.27 90.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.662 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.86 -39.53 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.32 . . . . 0.0 110.81 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 19' ' ' LEU . 94.5 mt -59.49 -50.18 74.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.274 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 p -75.65 -24.99 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 110.46 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -66.87 -36.73 82.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.619 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.509 ' HG3' HG12 ' A' ' 15' ' ' ILE . 80.7 mm-40 -86.49 -6.06 59.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.557 174.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 59.88 41.31 18.06 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.533 HG12 HD13 ' A' ' 15' ' ' ILE . 30.5 m -64.76 147.93 12.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -177.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.497 ' OG1' ' HD2' ' B' ' 30' ' ' PRO . 12.7 t -99.03 152.96 37.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 172.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.497 ' HD2' ' OG1' ' B' ' 29' ' ' THR . 53.5 Cg_exo -34.07 -51.96 0.58 Allowed 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.795 2.997 . . . . 0.0 114.404 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.13 -56.86 15.98 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.128 0.489 . . . . 0.0 110.423 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.8 tp -57.93 -40.61 80.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.159 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.21 -54.17 49.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.77 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.409 ' O ' ' HE1' ' A' ' 60' ' ' PHE . 90.6 mt -62.61 -41.66 99.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.861 -178.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.527 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 36.8 ttp -60.29 -46.65 89.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.982 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 90.4 m -69.93 -45.25 67.92 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.224 -0.191 . . . . 0.0 111.443 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.555 ' O ' HG23 ' B' ' 41' ' ' VAL . 80.5 mt -60.48 -52.88 63.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.591 0.234 . . . . 0.0 111.192 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.57 -33.01 86.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.374 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' B' ' 35' ' ' MET . 14.6 t-20 -67.54 -39.25 85.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.013 0.435 . . . . 0.0 109.941 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.49 -43.02 86.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.328 176.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.555 HG23 ' O ' ' B' ' 37' ' ' LEU . 90.2 t -57.15 -47.37 84.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.325 176.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 60.5 m -57.3 -39.73 76.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.05 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 0.2 OUTLIER -67.21 -39.39 86.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.067 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -65.84 -48.79 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.876 0.369 . . . . 0.0 110.734 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.551 HG22 ' HG3' ' B' ' 53' ' ' ARG . 59.5 mt -65.34 -26.32 39.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.038 0.447 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.61 -11.34 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.341 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.3 mt-30 -93.21 -10.63 35.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.233 0.54 . . . . 0.0 110.067 177.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 55.2 t -86.73 136.65 34.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.726 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -47.38 133.71 20.19 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.914 2.409 . . . . 0.0 112.303 176.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -53.63 -32.72 52.49 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 36.6 t -49.58 -53.15 25.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 111.207 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -102.14 2.39 37.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.293 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.551 ' HG3' HG22 ' B' ' 45' ' ' ILE . 42.4 ttm180 -64.05 -43.07 96.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.957 0.408 . . . . 0.0 110.512 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.8 t -70.31 -29.75 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.36 0.6 . . . . 0.0 110.272 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.3 -49.26 44.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.094 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.8 m -66.78 -34.81 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.643 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.596 HG22 ' HG2' ' A' ' 65' ' ' LYS . 13.5 p -72.55 -31.86 39.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.696 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.27 -44.01 69.3 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -62.76 -41.63 99.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.86 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.462 ' CE2' HG11 ' B' ' 41' ' ' VAL . 78.2 t80 -57.81 -52.93 63.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.489 0.662 . . . . 0.0 110.638 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.521 HG21 ' HG3' ' A' ' 65' ' ' LYS . 17.9 p -68.17 -35.14 77.56 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.337 -176.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.02 -45.38 81.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.189 176.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.03 98.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.461 ' O ' HG23 ' B' ' 68' ' ' VAL . 21.8 mt -54.21 -58.9 5.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -62.53 -29.51 70.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.758 -178.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -67.02 -48.46 68.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.745 175.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 69.3 p -66.38 -32.3 73.6 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 111.267 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 64' ' ' LEU . 96.2 t -63.87 -44.03 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.401 . . . . 0.0 110.105 175.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.0 -45.18 61.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.037 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -113.26 90.69 3.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.309 0.576 . . . . 0.0 112.153 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 54.8 p-80 -145.46 -34.82 0.32 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.533 169.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 52.29 -154.88 0.18 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.858 0.723 . . . . 0.0 110.387 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -122.96 95.65 4.7 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 168.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.54 ' O ' ' HB2' ' B' ' 75' ' ' HIS . 7.8 p80 -80.05 56.33 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.111 -171.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.54 ' HB2' ' O ' ' B' ' 74' ' ' HIS . 20.1 t-80 169.12 97.05 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.842 171.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.932 -0.556 . . . . 0.0 110.527 -178.267 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.47 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.6 mpt? . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 6.4 Cg_exo -74.4 58.2 4.39 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.317 2.678 . . . . 0.0 112.134 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.4 mt -126.53 139.91 50.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.696 HG12 ' HD2' ' A' ' 7' ' ' TYR . 6.3 t -85.53 61.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.014 0.435 . . . . 0.0 110.49 -176.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 m 50.65 -92.21 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.243 -0.89 . . . . 0.0 113.015 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -129.22 7.63 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.613 0.244 . . . . 0.0 111.183 -173.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.696 ' HD2' HG12 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -122.61 142.33 50.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.825 0.345 . . . . 0.0 110.702 -173.324 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.6 p -83.99 150.71 25.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.217 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -59.87 -38.92 83.57 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -48.64 -49.0 39.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.871 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.566 ' O ' HG13 ' A' ' 15' ' ' ILE . 63.9 ttt180 -73.99 -41.3 62.13 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.789 -176.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 8' ' ' SER . 97.3 t -57.01 -50.34 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.905 0.383 . . . . 0.0 110.538 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.41 -38.94 93.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.926 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -63.94 -41.38 97.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 11' ' ' ARG . 88.0 mt -60.58 -42.04 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.25 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.533 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 70.9 mt -61.67 -41.67 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.04 176.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -62.52 -46.84 86.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.464 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.448 ' HB3' HG11 ' B' ' 22' ' ' VAL . 0.9 OUTLIER -53.17 -44.75 68.1 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.747 176.231 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 83.6 mt -64.27 -43.77 93.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.81 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 91.4 mt -60.23 -42.73 95.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.928 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -61.29 -38.85 88.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.224 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.8 t -60.99 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.199 0.523 . . . . 0.0 110.655 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.5 HD13 HD11 ' B' ' 44' ' ' ILE . 85.4 mt -67.8 -46.44 71.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.371 -176.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.36 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.556 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 33.3 ttpt -53.44 -41.19 65.84 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.405 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' HB2' HG13 ' A' ' 28' ' ' VAL . 9.6 mm-40 -91.7 -0.14 57.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.426 -176.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 52.31 44.78 29.47 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.613 -175.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.447 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.5 m -65.93 136.9 25.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.37 0.605 . . . . 0.0 111.904 -175.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.13 154.87 63.88 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.362 173.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.45 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 96.3 Cg_exo -45.67 -48.19 12.5 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.061 2.507 . . . . 0.0 113.375 -177.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.2 -49.33 78.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.036 0.446 . . . . 0.0 110.66 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -65.18 -42.35 93.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.801 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.45 73.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.286 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 81.3 mt -62.79 -42.26 99.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -178.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 53.5 ttp -60.28 -41.74 93.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.862 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.9 m -72.99 -49.13 30.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.5 mt -59.56 -52.25 66.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.69 -34.69 90.38 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.659 -177.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 35' ' ' MET . 5.5 t-20 -65.59 -43.83 88.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.049 0.452 . . . . 0.0 109.87 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -64.24 -41.91 96.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.795 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 37' ' ' LEU . 83.9 t -58.61 -42.03 83.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 177.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.9 m -60.53 -36.3 78.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.195 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -72.91 -30.12 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.064 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 40' ' ' ALA . 48.3 mm -69.73 -47.42 70.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.836 0.35 . . . . 0.0 110.076 177.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 58.7 mt -70.39 -15.91 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.309 0.576 . . . . 0.0 110.543 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.615 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -71.82 -14.32 61.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.928 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -93.22 6.28 48.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.341 0.591 . . . . 0.0 110.276 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG12 ' HG3' ' A' ' 52' ' ' LYS . 45.3 t -111.19 118.21 48.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.81 -179.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.99 135.8 44.07 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.907 2.405 . . . . 0.0 112.475 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.582 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 2.2 mp0 -41.45 -39.55 1.53 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.7 t -46.4 -43.45 16.31 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.5 0.5 . . . . 0.0 111.466 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.561 ' HG3' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -112.74 -5.4 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.941 179.313 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.615 ' NH1' ' HA ' ' A' ' 46' ' ' ALA . 18.8 ttm-85 -63.93 -48.63 75.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.558 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.56 -32.52 58.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.229 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.05 -45.65 69.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.088 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.93 -37.49 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -177.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.596 HG22 ' HG2' ' B' ' 65' ' ' LYS . 12.5 p -70.88 -35.15 58.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.238 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.493 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 36.4 t70 -67.71 -48.69 65.82 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -59.89 -35.07 74.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.644 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -59.08 -54.79 43.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.2 0.524 . . . . 0.0 110.196 175.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.573 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 36.4 p -68.48 -36.5 79.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.629 -176.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -66.11 -39.51 90.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.971 0.415 . . . . 0.0 110.299 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 66' ' ' GLN . . . -64.78 -43.06 94.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.353 175.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.73 -47.28 82.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.292 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -57.91 -48.2 80.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.529 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 63' ' ' ALA . 5.1 pp0? -72.41 -17.92 61.76 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.064 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.568 ' HB3' HG21 ' B' ' 42' ' ' THR . 57.7 m -82.11 -42.31 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.677 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.5 t -73.42 -31.27 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.169 0.509 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -77.0 8.72 3.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.237 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -133.05 156.92 46.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.279 178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -151.54 113.42 4.46 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.111 0.481 . . . . 0.0 109.862 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -160.68 139.12 10.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.006 -173.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -122.98 -84.87 0.66 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 171.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -152.61 11.37 0.51 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 174.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 57.64 83.48 0.11 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.526 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.682 -0.675 . . . . 0.0 109.545 175.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.573 ' H2 ' ' HD2' ' B' ' 2' ' ' PRO . 1.5 mpt? . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.573 ' HD2' ' H2 ' ' B' ' 1' ' ' MET . 18.2 Cg_endo -60.22 -39.5 67.88 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.125 1.883 . . . . 0.0 112.703 -176.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.6 mm -102.31 104.07 15.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.391 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 48.2 t -99.55 130.4 48.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 36.2 t -104.28 134.1 48.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.891 0.377 . . . . 0.0 111.142 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -91.42 -11.86 36.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.371 175.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -113.47 156.23 23.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 13.6 m -91.25 131.38 36.81 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 175.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -54.7 -41.06 69.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.037 0.446 . . . . 0.0 110.379 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' B' ' 14' ' ' LYS . 23.8 tt0 -50.56 -56.37 12.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.876 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.467 ' O ' HG13 ' B' ' 15' ' ' ILE . 15.7 ttt180 -66.34 -35.81 81.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.298 -173.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.409 ' O ' HG13 ' B' ' 16' ' ' ILE . 87.3 t -60.55 -53.48 48.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -67.11 -30.54 70.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.16 0.505 . . . . 0.0 110.34 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' B' ' 10' ' ' GLU . 28.2 tttt -60.99 -52.41 65.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.526 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 11' ' ' ARG . 79.5 mt -61.21 -43.4 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.649 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 81.1 mt -58.15 -47.87 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.682 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -67.21 -38.76 85.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.342 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.82 -44.86 91.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.935 0.398 . . . . 0.0 109.931 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.428 HD13 HD23 ' A' ' 37' ' ' LEU . 88.9 mt -60.2 -47.51 85.66 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.726 175.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.484 ' O ' HG23 ' B' ' 24' ' ' VAL . 81.0 mt -60.32 -38.35 83.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.278 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -63.09 -42.55 99.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.622 0.249 . . . . 0.0 110.739 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.448 HG11 ' HB3' ' A' ' 18' ' ' ASP . 63.5 t -59.78 -43.02 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.081 0.467 . . . . 0.0 110.179 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.03 -43.06 93.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.111 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 20' ' ' LEU . 91.7 t -68.3 -37.2 77.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.772 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -58.13 -39.49 78.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.839 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.44 ' HB2' HG13 ' B' ' 28' ' ' VAL . 35.5 mm-40 -86.14 -11.14 53.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.056 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 54.33 49.88 17.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.542 -175.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.44 HG13 ' HB2' ' B' ' 26' ' ' GLU . 33.5 m -68.31 142.11 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.308 -178.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 45.9 p -77.01 160.11 77.0 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.273 175.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.452 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 68.6 Cg_exo -52.52 -40.58 71.78 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 121.941 1.76 . . . . 0.0 111.282 174.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.46 -52.55 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.147 176.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.39 -42.05 93.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.044 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.22 -52.33 65.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 80.8 mt -59.73 -38.17 80.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.149 -178.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttp -66.36 -44.62 82.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.898 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 61.3 m -71.14 -48.9 49.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.541 HD13 HG22 ' A' ' 41' ' ' VAL . 88.8 mt -64.1 -40.13 95.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -178.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.61 -39.5 93.43 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.532 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -70.68 -37.59 73.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.624 0.25 . . . . 0.0 110.815 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.31 86.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.445 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 37' ' ' LEU . 73.7 t -61.52 -49.18 85.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.551 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.568 HG21 ' HB3' ' A' ' 67' ' ' SER . 89.6 m -56.28 -43.92 79.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 178.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.549 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 51.0 t30 -56.16 -38.48 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.12 -178.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 23' ' ' LEU . 63.7 mt -83.11 -41.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.631 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.461 HG21 ' HB ' ' B' ' 57' ' ' VAL . 62.9 mt -64.43 -33.14 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.063 0.459 . . . . 0.0 110.782 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.25 -9.25 57.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.355 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 68.1 mt-30 -93.62 -6.48 46.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.434 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -88.13 144.83 34.99 Favored Pre-proline 0 N--CA 1.449 -0.476 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -174.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -40.54 119.69 0.8 Allowed 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.613 2.209 . . . . 0.0 111.414 172.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.568 ' HA ' ' HG2' ' B' ' 53' ' ' ARG . 25.1 tt0 -49.07 -37.66 21.86 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.631 0.582 . . . . 0.0 112.045 -172.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.8 t -57.32 -29.41 63.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.017 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -118.49 -12.26 9.84 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.326 -0.55 . . . . 0.0 112.255 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.568 ' HG2' ' HA ' ' B' ' 50' ' ' GLU . 3.7 ptp180 -65.9 -30.76 71.41 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 120.364 -0.535 . . . . 0.0 110.1 -178.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 44.3 t -73.26 -32.53 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.272 0.558 . . . . 0.0 110.049 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.89 -45.3 58.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.775 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' B' ' 53' ' ' ARG . 34.6 m -67.49 -31.22 51.74 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.63 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.461 ' HB ' HG21 ' B' ' 45' ' ' ILE . 11.0 p -76.1 -34.73 27.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.917 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.18 -45.72 69.28 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -59.57 -42.46 92.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.174 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -56.81 -59.55 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.419 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.573 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 21.4 p -64.03 -36.62 84.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.654 -176.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 85.0 tttt -63.22 -56.26 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.402 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.36 80.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.624 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.74 -46.66 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.596 ' HG2' HG22 ' A' ' 57' ' ' VAL . 51.8 mtmt -69.14 -25.78 64.55 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.23 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 29.2 mt-30 -69.05 -43.06 75.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.069 0.461 . . . . 0.0 110.345 173.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.0 m -66.83 -32.78 74.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.668 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 77.0 t -80.64 -37.91 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.847 177.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' B' ' 65' ' ' LYS . 15.3 tp -54.25 -52.49 61.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.376 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -121.45 77.38 1.33 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.27 175.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -100.76 -22.52 14.85 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.13 176.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -82.1 80.51 8.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.714 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -164.51 45.32 0.1 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.113 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 65.6 -84.01 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 114.458 -1.246 . . . . 0.0 112.054 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 168.64 -24.78 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -169.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 46.1 t60 . . . . . 0 C--O 1.25 1.126 0 CA-C-N 114.113 -1.403 . . . . 0.0 107.769 175.607 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.3 -61.46 0.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.301 2.001 . . . . 0.0 111.587 176.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.6 mm 67.77 -64.78 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.294 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -99.09 120.09 47.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.448 0.642 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 p -73.67 125.48 28.14 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.498 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 6' ' ' LYS . 35.4 ttpt -70.2 -30.45 67.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 -177.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.415 ' OH ' ' HB2' ' B' ' 32' ' ' LEU . 50.5 m-85 60.86 -161.58 0.28 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.275 -175.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.5 p -150.24 155.98 40.72 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -57.5 -35.24 69.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 123.166 0.291 . . . . 0.0 110.742 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.15 -52.97 63.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.877 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' HG13 ' A' ' 15' ' ' ILE . 28.4 tpt180 -54.38 -45.18 72.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.928 -177.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 16' ' ' ILE . 51.8 t -62.45 -57.59 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.168 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.94 -32.6 74.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.482 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 13.2 tmtt? -62.94 -49.49 74.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.26 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.419 HD13 HG12 ' B' ' 28' ' ' VAL . 78.9 mt -61.68 -42.66 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.325 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 72.7 mt -60.41 -48.39 88.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.58 176.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -60.47 -40.34 90.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.367 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.2 -42.91 96.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.157 0.504 . . . . 0.0 109.795 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.69 -44.87 95.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.402 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 95.9 mt -60.22 -38.85 84.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.597 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -57.01 -46.32 82.42 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.544 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 80.7 t -57.55 -44.53 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.625 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.37 -49.45 69.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.219 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 20' ' ' LEU . 57.4 t -65.36 -37.28 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.863 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -67.75 -11.13 57.76 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 111.681 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.641 ' HB2' HG13 ' A' ' 28' ' ' VAL . 79.4 mm-40 -101.34 -7.19 23.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.557 0.217 . . . . 0.0 110.701 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 55.78 40.32 30.74 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.564 -173.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 26' ' ' GLU . 33.9 m -64.61 145.61 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.152 0.501 . . . . 0.0 111.575 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.5 p -83.11 159.52 62.3 Favored Pre-proline 0 N--CA 1.445 -0.678 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 172.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.479 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 9.2 Cg_endo -53.5 -44.81 45.84 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.481 2.121 . . . . 0.0 112.177 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.76 -43.02 90.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.436 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.44 HD11 HG22 ' B' ' 12' ' ' VAL . 61.1 tp -62.49 -45.09 94.61 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.763 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' B' ' 44' ' ' ILE . . . -58.69 -42.81 89.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -178.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 86.0 mt -60.96 -40.74 94.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.2 ttp -64.3 -41.3 96.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.652 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.1 m -70.0 -49.96 46.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.001 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.1 mt -61.09 -41.25 96.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.22 -41.03 92.62 Favored Glycine 0 C--N 1.329 0.159 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.599 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -76.02 -35.21 59.6 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.444 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.03 90.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 37' ' ' LEU . 58.9 t -60.47 -52.63 59.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.168 177.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.4 m -59.78 -35.44 74.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.306 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -60.34 -38.09 82.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.532 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 48' ' ' VAL . 16.0 tt -88.72 -25.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.899 -179.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 41' ' ' VAL . 55.9 mt -65.09 -32.61 59.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 121.271 0.558 . . . . 0.0 110.223 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.39 -16.53 62.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.984 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -86.34 -16.73 36.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.495 0.664 . . . . 0.0 109.842 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 44' ' ' ILE . 24.7 t -86.49 137.6 34.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.977 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.8 146.9 96.7 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.592 2.195 . . . . 0.0 112.523 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.584 ' HA ' ' HB3' ' A' ' 53' ' ' ARG . 3.0 mm-40 -54.23 -32.03 54.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.296 -175.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 t -50.11 -33.63 19.36 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.578 0.549 . . . . 0.0 112.021 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -127.01 1.0 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.322 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.584 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 42.8 ttm180 -61.64 -45.96 91.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.917 0.389 . . . . 0.0 111.178 -178.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.89 -30.33 32.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.231 0.538 . . . . 0.0 110.304 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.2 -46.01 65.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.173 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.482 ' HB ' ' CD1' ' B' ' 34' ' ' LEU . 26.9 m -65.03 -37.48 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.683 -176.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.8 -33.93 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.772 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -69.37 -43.65 73.14 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.876 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -68.49 -35.66 77.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -61.95 -51.08 69.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.115 0.483 . . . . 0.0 110.283 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.8 p -65.27 -37.55 87.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.198 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -62.33 -49.45 75.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.121 0.486 . . . . 0.0 110.386 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.88 -39.31 84.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.502 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.7 mt -58.44 -55.15 38.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.181 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -55.62 -40.62 72.38 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.005 0.431 . . . . 0.0 111.151 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tm0? -68.54 -50.87 48.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.957 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.593 ' O ' ' HB2' ' A' ' 71' ' ' HIS . 34.0 p -72.54 -28.87 63.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.821 -173.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.6 t -74.31 -49.27 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.599 0.238 . . . . 0.0 111.464 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.91 -37.76 82.09 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -93.17 8.88 38.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.794 0.33 . . . . 0.0 111.402 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.593 ' HB2' ' O ' ' A' ' 67' ' ' SER . 27.1 t-80 -70.85 -17.46 62.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.68 0.276 . . . . 0.0 111.192 -177.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -104.38 1.32 30.04 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.931 -175.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -147.1 99.74 3.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.626 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -106.77 -34.41 7.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.373 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -115.91 99.56 7.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.902 0.382 . . . . 0.0 110.268 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.563 178.283 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.503 ' HB3' HG22 ' B' ' 3' ' ' ILE . 65.0 mtt . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.56 0.219 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.481 ' HB2' ' HB3' ' B' ' 8' ' ' SER . 53.8 Cg_endo -88.94 12.86 2.62 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.073 2.515 . . . . 0.0 112.691 -176.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.503 HG22 ' HB3' ' B' ' 1' ' ' MET . 9.7 tt -81.39 96.77 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.7 0.762 . . . . 0.0 111.071 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 30.7 m -136.1 170.57 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.901 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.4 p -65.96 -18.83 65.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.912 0.387 . . . . 0.0 111.633 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -96.83 11.21 36.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 71.71 173.74 0.3 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.391 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.481 ' HB3' ' HB2' ' B' ' 2' ' ' PRO . 11.8 m -92.12 128.83 38.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.765 -176.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -58.31 -44.76 88.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.36 -43.23 95.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.721 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.523 ' O ' HG13 ' B' ' 15' ' ' ILE . 76.2 ttt180 -71.51 -40.04 70.41 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.067 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.458 ' O ' HG13 ' B' ' 16' ' ' ILE . 69.5 t -61.85 -43.79 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.66 -40.15 96.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.406 175.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' B' ' 11' ' ' ARG . 47.1 tttm -52.65 -55.48 22.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.318 175.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 11' ' ' ARG . 59.0 mt -55.6 -47.63 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.93 -178.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 12' ' ' VAL . 75.9 mt -58.06 -48.73 83.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -68.23 -34.65 76.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.025 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.531 ' O ' HG23 ' B' ' 22' ' ' VAL . 80.1 m-20 -64.94 -41.5 95.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 15' ' ' ILE . 95.8 mt -61.34 -46.92 88.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.402 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.437 ' O ' HG23 ' B' ' 24' ' ' VAL . 91.1 mt -61.18 -38.37 86.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.32 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.04 -38.07 87.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.755 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.589 ' O ' ' HB3' ' B' ' 25' ' ' LYS . 98.7 t -65.94 -38.06 81.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.272 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.595 ' HB2' ' CG2' ' B' ' 28' ' ' VAL . 4.0 pp -78.86 -22.11 46.55 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.139 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 20' ' ' LEU . 83.9 t -78.46 -36.01 19.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 171.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.589 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 79.0 tttt -50.73 -46.95 59.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.818 173.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -92.43 -11.2 35.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.602 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 55.25 66.35 1.25 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.05 -174.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.648 ' HA ' HD23 ' B' ' 32' ' ' LEU . 21.2 m -73.81 142.91 14.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.116 0.484 . . . . 0.0 110.969 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.556 HG22 ' HD2' ' B' ' 30' ' ' PRO . 0.0 OUTLIER -80.06 159.24 71.16 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 173.037 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.556 ' HD2' HG22 ' B' ' 29' ' ' THR . 94.8 Cg_exo -45.95 -52.22 7.32 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.854 2.369 . . . . 0.0 113.276 -178.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.03 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.648 HD23 ' HA ' ' B' ' 28' ' ' VAL . 60.5 tp -62.44 -41.07 98.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' B' ' 37' ' ' LEU . . . -58.34 -53.63 56.08 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.482 ' CD1' ' HB ' ' A' ' 56' ' ' VAL . 88.7 mt -61.54 -42.15 98.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.254 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.8 ttp -61.66 -43.86 98.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.31 . . . . 0.0 110.954 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 63.7 m -70.27 -46.69 63.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 0.0 110.706 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.593 ' O ' HG23 ' B' ' 41' ' ' VAL . 95.9 mt -60.87 -42.34 97.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.017 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.76 -43.8 86.8 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -70.16 -37.83 75.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.663 0.268 . . . . 0.0 110.608 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.06 92.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.858 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.593 HG23 ' O ' ' B' ' 37' ' ' LEU . 59.2 t -61.13 -52.48 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.064 177.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 30.7 m -61.12 -33.48 73.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.7 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -65.15 -37.27 86.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.149 -178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.464 HD13 ' CB ' ' A' ' 33' ' ' ALA . 19.8 tt -90.7 -22.1 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.931 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.439 HG13 ' O ' ' B' ' 41' ' ' VAL . 52.5 mt -67.57 -26.47 35.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.413 0.625 . . . . 0.0 109.518 171.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.74 -19.06 65.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.451 175.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -88.35 -1.54 58.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.219 0.533 . . . . 0.0 109.928 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.405 HG22 ' CB ' ' A' ' 30' ' ' PRO . 42.6 t -97.63 127.11 38.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.561 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -51.53 132.79 41.8 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.643 2.229 . . . . 0.0 111.715 176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.56 ' HA ' ' HB3' ' B' ' 53' ' ' ARG . 3.0 mp0 -51.34 -31.36 21.63 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -174.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -52.66 -39.02 61.44 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.342 0.401 . . . . 0.0 111.513 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -114.52 -1.33 13.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.743 0.306 . . . . 0.0 110.745 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.56 ' HB3' ' HA ' ' B' ' 50' ' ' GLU . 40.4 ttm180 -62.71 -44.06 97.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.643 -178.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.15 -36.72 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.175 0.512 . . . . 0.0 110.182 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.27 -46.12 65.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.575 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.429 ' HB ' ' CD1' ' A' ' 34' ' ' LEU . 27.2 m -67.72 -39.14 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -175.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 p -70.91 -32.84 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.708 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -70.38 -48.3 56.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.624 0.249 . . . . 0.0 110.565 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -65.28 -29.75 70.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.237 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -61.69 -53.19 59.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 45.3 p -64.46 -33.83 76.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.818 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -62.49 -47.87 82.07 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 174.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.46 -33.93 77.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.501 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.434 ' O ' HG23 ' B' ' 68' ' ' VAL . 73.9 mt -60.97 -58.6 7.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.948 177.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -59.12 -38.48 79.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.68 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' B' ' 70' ' ' GLU . 4.8 tp-100 -56.4 -60.13 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.266 175.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.3 m -63.16 -38.32 90.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.875 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 64' ' ' LEU . 71.3 t -61.12 -38.06 78.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.898 0.38 . . . . 0.0 110.845 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.487 ' HA ' ' CE1' ' B' ' 72' ' ' HIS . 88.5 mt -75.32 -36.92 60.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.281 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' B' ' 66' ' ' GLN . 6.3 mm-40 -79.95 -31.57 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -174.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -80.84 -22.09 40.22 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -173.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' B' ' 69' ' ' LEU . 19.9 p-80 -84.13 134.06 34.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.647 177.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -91.69 174.1 7.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.838 -170.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -150.19 164.89 34.5 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -82.4 65.78 7.69 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.298 0.57 . . . . 0.0 112.522 -173.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 60.1 t60 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.461 -0.781 . . . . 0.0 109.924 175.349 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 mmt . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.559 0.218 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -84.84 -168.65 0.54 Allowed 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.65 2.234 . . . . 0.0 111.33 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.57 102.04 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.095 0.474 . . . . 0.0 109.974 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.35 101.47 2.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.778 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -131.01 32.67 4.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.479 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 31.3 tttp -90.14 71.33 7.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.279 -173.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.433 ' CD2' ' HG2' ' A' ' 6' ' ' LYS . 4.3 m-85 61.16 -172.67 0.14 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.409 171.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.3 t -102.15 131.19 48.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.665 176.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.473 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 55.2 m-80 -58.09 -40.47 81.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.981 -177.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -56.46 -42.3 77.95 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.967 0.413 . . . . 0.0 110.877 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 15' ' ' ILE . 45.6 ttt180 -73.35 -36.97 66.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.502 -177.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 8' ' ' SER . 96.5 t -60.0 -46.09 94.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.362 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 9' ' ' ASN . 65.2 mt-10 -60.66 -37.29 81.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.441 178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -66.25 -45.2 81.43 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.846 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 11' ' ' ARG . 71.6 mt -61.2 -45.74 98.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.916 0.389 . . . . 0.0 110.223 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.87 -46.64 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.647 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -62.67 -48.43 79.32 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.28 -44.42 79.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.282 0.364 . . . . 0.0 111.073 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD13 HD23 ' B' ' 37' ' ' LEU . 97.3 mt -62.82 -46.36 88.32 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 24' ' ' VAL . 86.9 mt -63.88 -37.04 85.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.66 -44.83 73.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.2 t -62.07 -46.47 96.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.758 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 HD21 ' A' ' 37' ' ' LEU . 91.5 mt -62.3 -44.84 95.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.045 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 20' ' ' LEU . 92.1 t -69.03 -37.25 76.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.385 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -56.8 -42.88 80.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.746 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -82.65 -12.26 57.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.76 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 56.55 47.6 18.28 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.204 0.526 . . . . 0.0 110.151 -174.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.12 137.05 25.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.624 -176.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.5 155.21 81.52 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.73 173.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.454 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 84.0 Cg_exo -45.5 -51.18 8.34 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.983 2.455 . . . . 0.0 112.931 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.4 -47.3 85.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.285 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.56 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.802 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.79 -51.05 70.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.357 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.2 mt -59.28 -43.83 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.894 -178.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.0 ttp -61.99 -37.74 85.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.457 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.498 ' HA ' HG12 ' B' ' 16' ' ' ILE . 64.6 m -77.14 -46.94 21.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 41' ' ' VAL . 96.9 mt -60.67 -52.82 63.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.192 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.64 -35.43 89.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.733 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -66.99 -44.3 80.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.109 0.481 . . . . 0.0 110.21 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 44' ' ' ILE . . . -64.88 -43.66 92.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.574 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 37' ' ' LEU . 84.9 t -62.1 -46.14 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 t -69.52 -20.76 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.136 0.493 . . . . 0.0 110.954 -173.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -82.98 -31.04 27.75 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.187 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 40' ' ' ALA . 45.4 mm -72.49 -38.59 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.039 0.447 . . . . 0.0 110.372 178.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.76 -16.88 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.378 0.608 . . . . 0.0 110.727 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.589 ' HA ' HH11 ' A' ' 53' ' ' ARG . . . -74.13 -9.8 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.025 178.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -100.1 6.87 44.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.304 0.573 . . . . 0.0 110.009 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.0 t -102.93 124.36 38.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.802 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -52.23 133.7 48.36 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.787 2.324 . . . . 0.0 112.813 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.526 ' HG2' HH21 ' A' ' 53' ' ' ARG . 5.4 mm-40 -44.34 -34.27 1.91 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.6 t -55.68 -26.36 44.47 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.773 0.32 . . . . 0.0 111.244 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -130.8 1.07 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.389 176.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.589 HH11 ' HA ' ' A' ' 46' ' ' ALA . 12.8 ttm-85 -63.13 -47.51 82.46 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.963 0.411 . . . . 0.0 110.21 -178.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.9 -29.9 47.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.292 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.0 41.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.85 -35.98 72.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.89 -36.19 72.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.658 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -72.11 -44.21 63.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.09 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.07 -38.74 80.15 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.545 176.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.49 -53.31 59.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.302 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.462 HG22 HG22 ' B' ' 61' ' ' THR . 30.8 p -67.76 -34.51 76.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.476 -178.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -66.37 -43.88 84.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.513 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.68 95.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.867 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 68' ' ' VAL . 43.6 mt -57.06 -49.53 75.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.546 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -60.57 -35.17 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.035 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.465 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 51.5 tt0 -66.84 -51.74 51.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.362 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.44 ' HB2' HG21 ' B' ' 42' ' ' THR . 26.1 p -69.98 -8.58 50.21 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 64' ' ' LEU . 69.9 t -88.91 -40.81 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.837 0.351 . . . . 0.0 110.264 172.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.5 -47.09 10.96 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -87.77 -14.79 38.75 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -171.705 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -70.74 99.17 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.248 0.547 . . . . 0.0 110.945 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -154.02 141.31 19.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.654 178.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -83.12 115.29 21.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.874 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -138.79 -84.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 174.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.417 ' HB3' ' H ' ' A' ' 76' ' ' HIS . 29.2 m170 52.81 -161.65 0.1 Allowed 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.662 0.601 . . . . 0.0 111.211 -176.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.417 ' H ' ' HB3' ' A' ' 75' ' ' HIS . 2.6 p-80 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.06 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.823 ' HB3' ' HD3' ' B' ' 2' ' ' PRO . 15.4 tpt . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.781 -0.081 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.823 ' HD3' ' HB3' ' B' ' 1' ' ' MET . 1.7 Cg_endo -86.68 148.4 8.51 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 122.393 2.062 . . . . 0.0 111.269 173.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.3 pt -90.51 123.2 42.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.178 0.513 . . . . 0.0 111.077 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -81.82 -25.03 9.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.46 0.648 . . . . 0.0 109.999 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -111.23 174.37 5.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.028 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -97.45 -1.43 44.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.282 0.563 . . . . 0.0 109.827 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -134.86 -179.85 5.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.492 -177.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 20.0 m -82.69 118.55 23.42 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 173.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -53.45 -44.07 68.59 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.33 0.394 . . . . 0.0 111.527 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.36 -35.12 71.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.41 ' O ' HG13 ' B' ' 15' ' ' ILE . 78.1 ttt180 -74.59 -39.93 61.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.482 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 80.4 t -55.89 -51.46 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.52 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.5 -29.86 70.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.837 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -63.31 -41.76 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.052 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' B' ' 19' ' ' LEU . 72.6 mt -64.75 -45.02 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.061 178.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.498 HG12 ' HA ' ' A' ' 36' ' ' CYS . 71.5 mt -58.33 -45.29 89.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.342 176.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -65.51 -37.49 86.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.336 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.4 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.0 t70 -63.76 -40.96 97.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.855 0.359 . . . . 0.0 110.18 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 86.8 mt -60.42 -41.62 94.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.214 0.53 . . . . 0.0 109.88 175.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.03 -41.97 99.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.795 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.76 -41.72 96.04 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 18' ' ' ASP . 93.9 t -59.77 -41.04 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.034 0.445 . . . . 0.0 110.334 177.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.511 HD22 HG21 ' B' ' 28' ' ' VAL . 85.7 mt -68.28 -42.34 79.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.086 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 86.8 t -69.6 -34.81 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.713 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -55.61 -43.33 75.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.787 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.533 ' HB2' HG13 ' B' ' 28' ' ' VAL . 72.0 mm-40 -90.89 -12.58 35.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.625 -178.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 57.86 47.53 15.09 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -175.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.533 HG13 ' HB2' ' B' ' 26' ' ' GLU . 33.2 m -70.53 147.97 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.974 -174.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.422 HG23 ' H ' ' B' ' 32' ' ' LEU . 4.4 t -84.76 147.93 50.06 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.596 174.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.428 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 60.9 Cg_exo -41.24 -46.43 5.51 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.721 2.947 . . . . 0.0 113.795 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -58.08 -48.65 79.49 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.119 0.485 . . . . 0.0 110.975 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 7' ' ' TYR . 62.5 tp -65.87 -39.11 90.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.577 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.72 -51.03 70.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.942 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 91.8 mt -59.2 -42.69 91.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.557 -177.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttp -62.92 -43.03 99.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.019 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 61.9 m -72.98 -47.07 48.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.035 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.561 ' O ' HG23 ' B' ' 41' ' ' VAL . 95.4 mt -63.39 -47.79 80.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.73 -32.07 82.33 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.187 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -68.2 -41.66 81.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.118 0.485 . . . . 0.0 109.71 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.407 ' O ' HG12 ' B' ' 44' ' ' ILE . . . -63.63 -43.67 96.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.856 177.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 37' ' ' LEU . 60.5 t -56.62 -45.3 82.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.303 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.44 HG21 ' HB2' ' A' ' 67' ' ' SER . 91.2 m -58.96 -41.12 86.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.216 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -67.52 -29.58 69.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.037 0.446 . . . . 0.0 110.662 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.407 HG12 ' O ' ' B' ' 40' ' ' ALA . 47.9 mm -74.93 -46.72 39.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.717 177.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.04 -32.48 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.075 0.464 . . . . 0.0 111.195 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.7 -26.24 68.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.328 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -87.03 -3.75 59.11 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.4 t -87.57 146.18 38.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.554 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.84 134.61 63.74 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 121.991 1.794 . . . . 0.0 112.065 173.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.587 ' HA ' ' HD3' ' B' ' 53' ' ' ARG . 20.1 tt0 -58.27 -26.19 62.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.445 -175.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 35.3 t -54.14 -29.84 46.74 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.733 0.301 . . . . 0.0 111.38 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.421 ' O ' HG22 ' B' ' 56' ' ' VAL . 0.1 OUTLIER -124.57 20.58 8.64 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.371 -0.206 . . . . 0.0 110.918 -179.482 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.587 ' HD3' ' HA ' ' B' ' 50' ' ' GLU . 0.0 OUTLIER -63.96 -45.16 90.39 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.0 0.429 . . . . 0.0 111.844 -175.222 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.32 -30.41 15.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.13 87.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.137 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.421 HG22 ' O ' ' B' ' 52' ' ' LYS . 17.1 m -65.74 -38.63 82.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -178.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.7 p -76.87 -34.22 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.946 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -45.2 80.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.583 0.23 . . . . 0.0 110.806 177.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.81 -42.32 99.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 110.565 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.56 -53.05 62.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.342 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.462 HG22 HG22 ' A' ' 61' ' ' THR . 29.1 p -65.69 -43.25 89.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.482 -176.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' B' ' 66' ' ' GLN . 52.4 tttp -56.55 -55.27 35.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.77 76.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.129 -176.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 tt -70.39 -41.4 73.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.244 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' B' ' 61' ' ' THR . 68.3 mttm -57.99 -48.31 80.39 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.038 0.447 . . . . 0.0 110.486 176.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 62' ' ' LYS . 20.5 mt-30 -62.09 -41.54 98.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.194 -177.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.0 m -68.71 -26.32 65.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.584 -176.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 74.4 t -75.36 -46.53 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.433 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.51 -34.89 79.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.827 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -93.51 14.8 17.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.656 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.7 80.66 5.89 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 175.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -70.53 139.82 51.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.549 -173.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -89.43 14.42 11.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.953 -169.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 29.7 m80 57.29 55.18 6.05 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.075 0.464 . . . . 0.0 110.571 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -76.63 122.24 24.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.616 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 . . . . . 0 C--O 1.245 0.828 0 CA-C-O 119.042 -0.504 . . . . 0.0 109.869 -177.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 tmm? . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -72.33 141.65 35.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.999 2.466 . . . . 0.0 112.791 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.409 ' O ' HG12 ' A' ' 3' ' ' ILE . 14.2 tt -120.48 20.92 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.926 0.869 . . . . 0.0 109.364 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.3 m -58.07 -30.56 39.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.475 -175.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m -130.27 123.59 30.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.708 0.289 . . . . 0.0 110.329 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.55 ' HD2' ' CZ ' ' A' ' 7' ' ' TYR . 23.2 mmtt -98.94 -82.13 0.44 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.744 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.55 ' CZ ' ' HD2' ' A' ' 6' ' ' LYS . 6.3 m-85 -137.13 148.08 46.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -174.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.5 m -76.53 135.28 39.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.773 0.32 . . . . 0.0 110.138 176.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' A' ' 9' ' ' ASN . 10.5 m120 -57.61 -42.61 83.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.57 -176.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -58.03 -40.45 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.177 0.298 . . . . 0.0 111.133 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.537 ' O ' HG13 ' A' ' 15' ' ' ILE . 53.5 ttt85 -64.85 -47.95 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.292 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 16' ' ' ILE . 40.4 t -60.31 -45.39 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 110.13 178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -56.83 -45.12 82.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.731 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -62.54 -43.44 98.81 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.081 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 11' ' ' ARG . 76.5 mt -58.02 -42.63 83.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.835 0.35 . . . . 0.0 110.205 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 12' ' ' VAL . 68.1 mt -59.89 -46.16 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.295 175.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -64.0 -40.75 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.918 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.67 -41.14 94.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.981 0.419 . . . . 0.0 110.76 177.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.54 HD13 HD23 ' B' ' 37' ' ' LEU . 79.1 mt -62.8 -41.18 99.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.084 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 98.1 mt -65.21 -35.68 81.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.509 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.86 -41.17 77.48 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.253 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.2 t -64.23 -45.94 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.716 176.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.66 -39.56 91.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.253 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.0 t -74.7 -30.38 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.741 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -59.6 -43.42 93.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.179 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -90.13 -16.9 28.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.762 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 56.53 54.67 7.2 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.588 0.709 . . . . 0.0 110.62 -174.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.72 156.65 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.157 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.7 p -79.0 159.75 72.71 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.565 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 70.7 Cg_exo -52.3 -40.38 70.35 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.203 1.936 . . . . 0.0 111.7 176.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -65.96 -50.18 65.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.839 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HB2' ' CE1' ' B' ' 7' ' ' TYR . 49.6 tp -59.63 -38.11 80.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.58 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.43 77.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.625 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 85.8 mt -62.29 -43.99 97.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.03 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.458 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 52.9 ttp -63.31 -41.45 98.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.291 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.0 m -72.69 -49.52 30.89 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.955 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.1 mt -63.13 -50.41 70.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.16 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.17 -36.05 91.79 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.359 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 35' ' ' MET . 14.8 t-20 -67.96 -41.55 82.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.177 0.513 . . . . 0.0 109.815 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.38 93.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.767 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 37' ' ' LEU . 98.6 t -58.36 -45.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.189 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.2 m -57.96 -42.96 86.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.931 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -61.26 -36.96 81.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.203 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.52 -46.54 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.832 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.533 HG21 ' HB ' ' A' ' 57' ' ' VAL . 73.0 mt -63.73 -29.15 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.033 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.12 -22.49 66.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.183 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -86.98 -3.32 59.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.106 0.479 . . . . 0.0 110.624 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.715 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 48.0 t -85.66 136.66 36.74 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 175.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.44 133.55 43.57 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.087 1.858 . . . . 0.0 113.014 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.527 ' CD ' HH21 ' A' ' 53' ' ' ARG . 5.4 tp10 -32.99 -52.02 0.32 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.314 -1.312 . . . . 0.0 113.546 -179.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -55.13 -31.47 61.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.292 -172.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.7 6.75 10.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.944 0.402 . . . . 0.0 110.714 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.715 ' HD3' ' O ' ' A' ' 48' ' ' VAL . 23.0 ttp180 -81.83 -37.6 26.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.147 -173.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.19 -35.97 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.311 0.576 . . . . 0.0 110.082 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.71 -49.42 68.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.432 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.37 -37.85 80.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -175.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.533 ' HB ' HG21 ' A' ' 45' ' ' ILE . 11.1 p -70.28 -36.28 66.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-O 120.753 0.311 . . . . 0.0 111.374 -178.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -77.54 -40.74 41.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.346 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -62.17 -39.85 94.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.476 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -54.47 -57.55 10.9 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.573 0.701 . . . . 0.0 110.263 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.6 HG22 HG22 ' B' ' 61' ' ' THR . 4.0 p -68.66 -35.1 76.79 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.941 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -66.44 -46.79 75.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 110.393 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.92 -30.94 71.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 tt -69.38 -41.19 76.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.225 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.554 ' HD2' HG22 ' B' ' 57' ' ' VAL . 10.9 mmmm -57.6 -44.3 85.34 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.074 0.464 . . . . 0.0 109.967 175.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.06 -42.74 84.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.244 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.8 ' O ' ' HB3' ' A' ' 71' ' ' HIS . 19.9 p -77.41 -3.82 42.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.441 -176.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.2 t -95.26 -30.86 4.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 120.955 0.407 . . . . 0.0 110.234 170.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 94.8 mt -75.41 -59.85 2.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.462 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -77.12 -43.52 33.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.109 0.48 . . . . 0.0 111.116 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.8 ' HB3' ' O ' ' A' ' 67' ' ' SER . 45.1 t-80 -82.04 55.53 2.83 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.813 0.816 . . . . 0.0 109.767 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.406 ' HB2' HH12 ' B' ' 53' ' ' ARG . 11.6 p-80 -87.54 42.75 1.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.817 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 56.88 138.26 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.305 1.442 . . . . 0.0 112.817 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -170.72 112.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.719 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -62.63 135.21 57.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.129 0.49 . . . . 0.0 111.246 -174.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.427 179.44 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtm . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.512 0.196 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.44 -57.84 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.869 2.379 . . . . 0.0 111.834 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.8 tp -173.75 162.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 35.9 m -102.81 169.44 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -64.9 121.34 14.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 0.0 110.768 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -145.94 -45.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.058 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 71.1 m-85 -79.04 139.86 38.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.456 177.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.415 ' O ' HG23 ' B' ' 12' ' ' VAL . 2.6 p -96.38 123.15 39.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.048 176.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -58.06 -37.53 74.61 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.697 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.18 -33.54 74.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.522 ' O ' HG13 ' B' ' 15' ' ' ILE . 68.8 ttt180 -76.81 -45.78 27.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.277 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 8' ' ' SER . 94.1 t -57.19 -46.91 84.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.947 0.403 . . . . 0.0 110.569 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.82 -39.75 90.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.233 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -64.77 -41.48 95.83 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.165 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.7 mt -62.78 -49.21 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.986 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.422 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 68.9 mt -58.63 -44.2 89.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.23 0.538 . . . . 0.0 110.503 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -64.19 -43.89 93.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.586 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.465 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.5 t70 -60.79 -42.75 98.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.785 -177.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.79 -43.1 90.37 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.279 0.561 . . . . 0.0 110.336 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 24' ' ' VAL . 99.2 mt -61.17 -45.8 93.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.123 177.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -56.43 -35.67 68.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.246 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 77.1 t -63.83 -47.85 88.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.334 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.417 ' C ' HD12 ' B' ' 23' ' ' LEU . 4.2 pp -78.4 -16.51 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.359 -178.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 20' ' ' LEU . 25.6 t -71.48 -40.21 71.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.642 176.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 14.9 pttm -74.43 -22.97 58.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.413 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' B' ' 22' ' ' VAL . 39.2 mm-40 -83.6 -23.95 31.7 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.935 174.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 58.67 61.25 2.26 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.841 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.17 149.15 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.295 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.487 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 31.8 p -90.08 168.13 15.31 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.362 174.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.487 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 77.7 Cg_exo -51.0 -47.01 27.64 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.295 1.997 . . . . 0.0 111.916 177.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.07 -46.71 88.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.617 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 48.4 tp -69.74 -39.59 76.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.01 -175.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.6 -50.89 72.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.95 -40.85 98.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.031 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 44.1 ttp -66.72 -41.1 88.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.823 -175.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 21.2 p -76.61 -43.54 38.05 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.858 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 19' ' ' LEU . 92.5 mt -62.53 -41.15 98.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.601 0.239 . . . . 0.0 111.091 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.23 -43.53 97.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.637 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.579 ' HA ' HG22 ' B' ' 42' ' ' THR . 31.9 m-80 -73.2 -23.69 60.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.254 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.99 -32.41 69.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.964 0.411 . . . . 0.0 110.26 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 37' ' ' LEU . 66.0 t -77.28 -45.84 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.769 -177.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.579 HG22 ' HA ' ' B' ' 39' ' ' ASN . 7.8 t -60.49 -33.77 73.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.93 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -64.77 -32.74 74.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.84 0.352 . . . . 0.0 110.533 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.9 mm -79.58 -48.26 21.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.809 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.455 HG22 ' HG3' ' B' ' 53' ' ' ARG . 58.5 mt -67.03 -28.51 43.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.482 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.5 -12.5 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -91.35 -13.55 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.351 0.596 . . . . 0.0 110.025 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 47.6 t -81.62 133.79 52.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.607 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.728 ' HB2' ' HD3' ' B' ' 52' ' ' LYS . 84.6 Cg_exo -46.74 130.2 15.09 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.08 2.52 . . . . 0.0 112.601 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.632 ' HG2' ' CZ ' ' B' ' 53' ' ' ARG . 22.1 mt-10 -56.75 -31.65 64.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.989 -173.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -56.43 -28.23 58.89 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.466 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.728 ' HD3' ' HB2' ' B' ' 49' ' ' PRO . 0.0 OUTLIER -125.11 4.14 7.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.801 0.334 . . . . 0.0 110.874 177.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.632 ' CZ ' ' HG2' ' B' ' 50' ' ' GLU . 42.5 ttm180 -64.68 -35.31 80.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.382 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 48.8 t -64.26 -34.69 70.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.764 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.34 -47.89 53.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.327 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.84 -37.08 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 -176.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.554 HG22 ' HD2' ' A' ' 65' ' ' LYS . 12.7 p -70.64 -35.48 61.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 120.889 0.376 . . . . 0.0 110.739 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.81 -45.75 67.22 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -57.38 -44.69 84.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.045 176.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.443 ' CE2' HG11 ' B' ' 41' ' ' VAL . 87.9 t80 -57.32 -54.3 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.582 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.6 HG22 HG22 ' A' ' 61' ' ' THR . 10.2 p -68.21 -35.4 77.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.558 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -61.17 -54.57 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 174.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.22 -33.74 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.15 -49.19 68.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.44 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' B' ' 61' ' ' THR . 62.0 mttm -57.54 -45.97 84.45 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.19 0.519 . . . . 0.0 109.779 176.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -57.5 -49.59 75.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.348 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.0 m -68.24 -39.25 82.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.75 -174.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 69.4 t -67.45 -44.63 86.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.661 0.267 . . . . 0.0 111.193 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 97.6 mt -69.44 -23.38 63.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.216 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -86.23 -34.45 20.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.173 0.511 . . . . 0.0 110.697 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -64.18 99.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.154 0.502 . . . . 0.0 110.42 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -60.62 145.58 48.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.096 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -82.81 74.74 9.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.401 0.62 . . . . 0.0 109.59 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 32.8 m170 67.38 171.11 0.26 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.285 -173.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -119.64 95.62 4.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.553 0.692 . . . . 0.0 110.625 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 73.5 t60 . . . . . 0 C--O 1.245 0.822 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.275 -179.849 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 24.4 mmt . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.747 0.308 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 12.8 Cg_exo -70.01 147.23 60.78 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.937 2.424 . . . . 0.0 112.738 -178.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt 48.2 36.36 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.607 1.163 . . . . 0.0 113.218 173.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.9 m -58.51 99.59 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.979 0.418 . . . . 0.0 111.048 176.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 77.7 p 59.24 1.79 0.25 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.372 1.069 . . . . 0.0 112.181 -175.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' HB2' ' NZ ' ' A' ' 6' ' ' LYS . 8.1 mtmp? 66.04 -66.14 0.17 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.208 0.603 . . . . 0.0 110.404 -172.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -150.27 121.58 7.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 174.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.6 m -81.97 160.08 23.41 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -58.49 -34.43 70.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.668 0.271 . . . . 0.0 110.449 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -64.85 -30.16 71.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.821 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 15' ' ' ILE . 54.6 ttt180 -76.77 -35.95 57.37 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 16' ' ' ILE . 60.8 t -58.74 -47.93 87.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 176.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.16 -36.03 82.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.533 177.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -69.05 -47.88 64.23 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.739 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 11' ' ' ARG . 77.6 mt -58.58 -38.38 70.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.804 0.335 . . . . 0.0 110.663 -178.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.49 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 73.6 mt -62.81 -41.18 91.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.081 175.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.33 -43.1 87.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.86 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -54.17 -48.88 70.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.05 0.452 . . . . 0.0 110.25 175.296 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 15' ' ' ILE . 90.1 mt -64.76 -45.28 87.04 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.094 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 71.9 mt -61.57 -34.43 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.833 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.58 ' HA ' HG12 ' A' ' 24' ' ' VAL . 17.9 t70 -63.46 -40.99 98.59 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.395 177.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' B' ' 18' ' ' ASP . 61.1 t -58.02 -40.19 75.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.508 0.671 . . . . 0.0 110.455 176.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.504 HD22 HG21 ' A' ' 28' ' ' VAL . 84.2 mt -74.52 -37.08 63.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.398 -178.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.58 HG12 ' HA ' ' A' ' 21' ' ' ASP . 2.3 p -77.17 -23.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.339 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 56.4 mttp -52.13 -47.19 65.48 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.242 0.544 . . . . 0.0 109.764 170.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.53 ' HG3' HG12 ' B' ' 15' ' ' ILE . 8.4 mm-40 -98.85 -10.84 22.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.969 -173.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 52.76 53.36 12.28 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.25 0.548 . . . . 0.0 109.803 -172.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.504 HG21 HD22 ' A' ' 23' ' ' LEU . 34.3 m -61.74 148.76 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.166 -174.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.436 ' HB ' ' HD2' ' A' ' 30' ' ' PRO . 40.9 p -81.94 164.77 47.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.651 174.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.451 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 71.1 Cg_exo -50.51 -47.33 25.16 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.432 2.088 . . . . 0.0 112.696 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -66.8 -41.76 87.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.836 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' CD1' HG22 ' B' ' 12' ' ' VAL . 50.6 tp -66.36 -42.42 88.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.482 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.64 -55.37 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.105 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.514 HD22 HG13 ' B' ' 41' ' ' VAL . 72.7 mt -64.11 -37.35 87.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.158 -175.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.9 ttp -64.98 -42.43 94.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.933 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.3 m -67.34 -43.68 80.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 110.46 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 41' ' ' VAL . 95.3 mt -61.44 -44.66 96.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.084 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.73 -43.07 86.66 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.003 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -67.89 -38.38 82.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.707 0.289 . . . . 0.0 110.623 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.42 -46.27 89.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.768 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 37' ' ' LEU . 54.6 t -60.64 -48.18 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.627 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.1 m -58.85 -37.39 76.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.7 -39.01 92.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.561 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -70.85 -44.9 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.514 HG21 ' HB ' ' A' ' 57' ' ' VAL . 62.2 mt -67.2 -23.95 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.357 0.599 . . . . 0.0 111.059 -178.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.483 ' HA ' ' NH1' ' A' ' 53' ' ' ARG . . . -73.06 -10.39 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.281 178.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -97.38 0.28 47.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.221 0.534 . . . . 0.0 110.461 178.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.544 ' HB ' ' HG3' ' A' ' 53' ' ' ARG . 25.9 t -93.13 132.65 30.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.835 -177.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -61.93 129.24 26.74 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.356 2.037 . . . . 0.0 111.845 174.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.475 ' HG2' ' H ' ' A' ' 50' ' ' GLU . 11.3 mm-40 -33.17 -44.99 0.13 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.517 1.127 . . . . 0.0 113.891 177.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 t -51.04 -23.15 2.78 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.536 0.523 . . . . 0.0 111.866 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.455 ' HG3' ' CG1' ' A' ' 48' ' ' VAL . 20.9 ptmt -135.26 1.96 2.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.198 176.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.544 ' HG3' ' HB ' ' A' ' 48' ' ' VAL . 20.7 ttm-85 -71.94 -40.95 68.35 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.104 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.3 t -70.71 -34.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.216 0.532 . . . . 0.0 109.841 -178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.33 68.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.341 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.3 m -68.06 -37.29 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -175.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.746 HG22 ' HG2' ' B' ' 65' ' ' LYS . 10.1 p -70.7 -39.2 75.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.092 -177.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.56 ' HA ' ' HD3' ' B' ' 65' ' ' LYS . 7.2 t70 -74.13 -36.55 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.38 -39.91 92.41 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.259 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -59.13 -49.84 76.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.194 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.579 ' HB ' ' HB ' ' B' ' 61' ' ' THR . 65.5 p -67.46 -29.09 68.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.015 -179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -67.18 -51.34 54.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.738 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.47 77.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 68' ' ' VAL . 22.5 mt -58.2 -55.8 30.33 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.234 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' HD13 ' A' ' 69' ' ' LEU . 97.1 mttt -64.97 -27.54 68.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.883 0.373 . . . . 0.0 111.082 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -71.06 -39.93 71.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.821 0.344 . . . . 0.0 110.58 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 p -80.81 -36.45 31.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.258 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 64' ' ' LEU . 71.2 t -66.01 -28.31 43.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 120.931 0.396 . . . . 0.0 110.906 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 65' ' ' LYS . 9.8 mp -85.57 -2.6 58.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.014 0.435 . . . . 0.0 110.666 174.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.534 ' HG3' ' H ' ' A' ' 71' ' ' HIS . 7.9 tp10 -110.53 -117.67 0.29 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.534 ' H ' ' HG3' ' A' ' 70' ' ' GLU . 30.9 p80 41.32 33.23 0.25 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.178 0.991 . . . . 0.0 112.769 -176.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -65.33 -30.94 71.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 0.0 110.927 -176.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.76 109.36 10.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.51 177.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -87.18 -41.5 13.7 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -82.34 124.42 29.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.372 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.4 m170 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.068 176.528 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.416 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 3.9 mpp? . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 13.6 Cg_exo -69.98 100.6 0.86 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.779 2.319 . . . . 0.0 111.309 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.478 HG22 HG13 ' B' ' 4' ' ' VAL . 41.5 mt -73.54 -79.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.177 -175.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.478 HG13 HG22 ' B' ' 3' ' ' ILE . 27.3 m -137.35 18.61 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.156 0.503 . . . . 0.0 110.123 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 9.9 p -77.32 80.03 3.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.45 -175.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -122.85 -11.63 8.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.091 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 7.5 p90 40.4 -144.69 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 124.211 0.945 . . . . 0.0 112.309 -174.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.45 ' O ' HG23 ' B' ' 12' ' ' VAL . 26.1 t -153.35 147.41 25.56 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -61.41 -35.34 77.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -54.18 -48.74 70.62 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.353 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.61 ' O ' HG13 ' B' ' 15' ' ' ILE . 60.1 ttt180 -65.07 -42.78 93.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.51 -177.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 8' ' ' SER . 61.6 t -58.28 -51.63 68.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.218 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -62.04 -34.73 76.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.593 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' B' ' 14' ' ' LYS . 37.9 ttmt -70.8 -37.94 73.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.961 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.61 HG13 ' O ' ' B' ' 11' ' ' ARG . 83.5 mt -62.7 -45.65 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.077 0.465 . . . . 0.0 110.232 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.53 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 64.6 mt -57.39 -38.24 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.283 177.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.88 -42.66 80.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.106 -179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.425 ' HB3' HG13 ' A' ' 22' ' ' VAL . 4.2 t70 -63.6 -35.35 80.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.103 0.477 . . . . 0.0 109.813 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.97 -43.67 95.04 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.366 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 16' ' ' ILE . 97.7 mt -63.65 -43.12 97.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.713 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -50.56 -44.21 56.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.005 0.431 . . . . 0.0 110.602 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.87 -48.97 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.213 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.49 -43.85 96.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.435 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -71.89 -29.46 33.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.676 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -61.26 -38.36 86.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.463 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.672 ' HB2' HG13 ' B' ' 28' ' ' VAL . 52.0 mm-40 -87.99 -19.15 27.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.488 -177.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 60.79 41.9 14.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -173.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.672 HG13 ' HB2' ' B' ' 26' ' ' GLU . 29.5 m -58.3 145.54 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.935 -173.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.566 HG22 ' HD2' ' B' ' 30' ' ' PRO . 0.2 OUTLIER -80.28 148.77 67.79 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.003 173.309 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.6 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 80.5 Cg_exo -46.82 -48.91 13.22 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.724 2.283 . . . . 0.0 113.012 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.28 -44.48 95.33 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.101 0.477 . . . . 0.0 110.62 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 66.0 tp -64.83 -44.27 90.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.71 83.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.817 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' B' ' 30' ' ' PRO . 83.5 mt -61.01 -42.63 98.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.095 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.521 ' O ' ' HB2' ' B' ' 39' ' ' ASN . 53.3 ttp -64.72 -43.2 94.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 70.8 m -73.7 -44.47 56.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.498 0.189 . . . . 0.0 111.392 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.502 ' O ' HG23 ' B' ' 41' ' ' VAL . 95.4 mt -66.73 -46.59 74.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.551 0.215 . . . . 0.0 111.083 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.2 -32.86 85.59 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.261 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' B' ' 35' ' ' MET . 11.0 t-20 -66.94 -34.73 78.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.379 0.609 . . . . 0.0 110.018 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.29 -30.42 66.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.108 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.514 HG13 HD22 ' A' ' 34' ' ' LEU . 91.5 t -68.34 -48.46 72.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.882 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . 0.401 HG22 ' HA ' ' B' ' 39' ' ' ASN . 15.3 t -71.65 -19.13 62.14 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.92 -176.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -69.84 -43.83 71.15 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.23 -41.75 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.61 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.34 -25.67 35.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.411 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.73 -16.78 61.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.879 0.371 . . . . 0.0 111.159 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -85.81 -24.54 26.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.521 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.537 ' HB ' ' HD2' ' B' ' 49' ' ' PRO . 35.6 m -95.42 161.73 26.92 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.254 178.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' B' ' 48' ' ' VAL . 38.6 Cg_endo -67.53 153.42 76.49 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.81 2.34 . . . . 0.0 112.813 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.96 -30.43 61.71 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.102 -177.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -60.27 -16.17 31.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.518 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -112.66 -22.38 10.77 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.107 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' B' ' 49' ' ' PRO . 99.1 mtt180 -59.16 -59.71 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.822 -175.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.1 -36.93 77.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.239 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.13 -53.84 43.21 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.846 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.25 -46.71 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.638 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.92 -35.86 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.79 -175.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' B' ' 62' ' ' LYS . 38.6 t70 -70.42 -39.37 74.45 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.576 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -69.78 -40.7 75.89 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.237 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -57.18 -53.8 53.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.102 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.579 ' HB ' ' HB ' ' A' ' 61' ' ' THR . 28.2 p -64.29 -44.28 92.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.606 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 58' ' ' ASP . 11.7 ttmm -58.64 -53.27 60.23 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.89 178.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.09 93.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.2 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 68' ' ' VAL . 2.1 mt -50.81 -58.77 5.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.381 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.746 ' HG2' HG22 ' A' ' 57' ' ' VAL . 53.3 mtmt -65.92 -36.39 83.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.563 -174.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.431 ' HA ' ' OE1' ' B' ' 66' ' ' GLN . 15.7 mm-40 -68.93 -39.42 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.685 0.279 . . . . 0.0 111.119 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 24.8 m -68.47 -34.69 76.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.921 0.391 . . . . 0.0 110.703 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 64' ' ' LEU . 78.6 t -66.2 -41.73 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.461 176.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' B' ' 65' ' ' LYS . 96.5 mt -67.52 -34.16 76.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.862 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -78.79 -13.13 59.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.121 0.486 . . . . 0.0 110.938 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -79.87 11.32 3.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.204 0.526 . . . . 0.0 110.216 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -65.92 -31.75 72.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.481 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -155.17 132.74 11.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.511 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.422 ' O ' ' HB3' ' B' ' 75' ' ' HIS . 14.4 m80 -75.44 133.06 41.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 172.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.422 ' HB3' ' O ' ' B' ' 74' ' ' HIS . 53.7 t-80 72.04 119.42 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 O-C-N 124.013 0.82 . . . . 0.0 110.651 -175.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.27 177.128 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -68.62 144.27 59.72 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.836 2.357 . . . . 0.0 111.716 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -112.26 89.18 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.822 0.82 . . . . 0.0 112.192 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.09 7.8 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.539 177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m -74.59 103.16 4.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.276 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -95.86 -29.83 13.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.191 173.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -135.89 169.35 17.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.762 -177.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 12' ' ' VAL . 43.7 t -81.96 124.81 30.09 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 174.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -59.96 -35.27 74.61 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.019 0.438 . . . . 0.0 110.641 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 9.1 mp0 -61.69 -36.69 81.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.1 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -72.67 -36.87 68.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.161 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 8' ' ' SER . 58.2 t -61.11 -50.16 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.087 176.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -56.39 -35.39 67.69 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.038 177.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -64.59 -51.71 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 178.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.429 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 78.5 mt -62.23 -38.89 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -176.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.503 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 79.8 mt -59.74 -42.11 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 110.005 175.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -62.42 -45.86 91.21 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.533 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -60.54 -40.67 92.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.487 HD13 HD23 ' B' ' 37' ' ' LEU . 96.8 mt -67.59 -40.29 84.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 178.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 16' ' ' ILE . 93.5 mt -61.86 -39.42 91.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.185 177.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -34.39 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.219 178.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.8 t -61.03 -47.64 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.277 0.56 . . . . 0.0 110.064 174.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.28 -42.94 99.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.914 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.94 -36.51 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.048 0.451 . . . . 0.0 110.993 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -62.11 -31.36 71.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.287 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.623 ' HB2' HG13 ' A' ' 28' ' ' VAL . 54.0 mm-40 -98.0 -16.75 19.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.264 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.81 43.44 25.05 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.118 0.485 . . . . 0.0 110.498 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.623 HG13 ' HB2' ' A' ' 26' ' ' GLU . 26.8 m -64.63 137.54 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.879 -176.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.7 p -78.41 162.25 66.91 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.127 175.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.477 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 83.8 Cg_exo -46.25 -56.88 2.56 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.072 2.515 . . . . 0.0 113.296 -178.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.03 -45.86 86.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.7 tp -63.87 -44.23 93.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.696 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.09 86.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.266 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 30' ' ' PRO . 91.9 mt -59.58 -44.62 93.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 -178.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.8 ttp -64.61 -30.01 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.199 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.547 ' HA ' HG12 ' B' ' 16' ' ' ILE . 64.0 m -82.32 -47.9 11.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.861 0.362 . . . . 0.0 110.954 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.592 ' O ' HG23 ' A' ' 41' ' ' VAL . 97.5 mt -63.92 -50.27 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.508 -177.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.69 -30.7 78.44 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.51 -42.37 74.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.143 0.496 . . . . 0.0 109.797 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.87 95.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.646 177.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 37' ' ' LEU . 57.6 t -58.77 -52.05 64.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.089 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.8 m -60.24 -35.71 76.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.325 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -64.41 -38.48 91.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.344 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.8 tt -85.11 -25.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.181 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 41' ' ' VAL . 72.3 mt -64.93 -30.54 50.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.143 0.497 . . . . 0.0 109.766 173.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.55 -8.13 55.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.076 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -92.08 -9.78 41.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.455 0.645 . . . . 0.0 109.319 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.0 t -92.98 139.79 23.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.387 177.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.63 139.48 47.81 Favored 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.757 2.305 . . . . 0.0 112.504 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.532 ' HA ' ' HG3' ' A' ' 53' ' ' ARG . 43.6 mt-10 -56.36 -26.48 52.9 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.06 -177.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 t -48.08 -40.83 24.47 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.48 0.488 . . . . 0.0 111.374 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -123.37 15.51 9.7 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.532 ' HG3' ' HA ' ' A' ' 50' ' ' GLU . 94.2 mtt180 -61.06 -40.85 95.23 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.922 0.391 . . . . 0.0 110.638 178.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -69.48 -38.37 76.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.434 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.93 79.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.544 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.13 -37.53 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.8 p -75.18 -32.72 26.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.136 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.17 -33.73 61.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.843 0.354 . . . . 0.0 110.455 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -69.5 -32.79 71.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.994 0.426 . . . . 0.0 110.276 174.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.38 -50.34 65.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.923 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.7 p -65.52 -31.78 73.03 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -57.81 -57.16 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.754 174.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.2 88.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.462 -177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.4 mt -55.78 -57.27 12.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.301 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -56.92 -39.14 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -70.43 -34.51 72.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.694 -176.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 t -89.1 -10.91 45.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.84 0.352 . . . . 0.0 111.321 -176.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.3 t -92.92 -44.53 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.899 177.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.66 -39.57 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.188 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -129.18 111.08 12.55 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 173.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -108.89 -6.82 15.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.115 -172.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -173.61 -70.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -167.98 95.97 0.43 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.791 169.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -54.86 132.87 47.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.462 -175.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -77.04 146.08 37.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.059 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.7 m170 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.708 175.308 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.2 mtp . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.45 133.12 11.59 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.64 2.227 . . . . 0.0 111.978 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -78.13 92.54 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.598 0.714 . . . . 0.0 110.856 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.49 134.45 44.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.952 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -166.01 162.34 17.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.341 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -137.6 17.54 2.9 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 59.77 -164.98 0.21 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.67 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.44 ' O ' HG23 ' B' ' 12' ' ' VAL . 16.8 m -80.12 112.24 17.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -60.0 -41.63 92.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -173.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.82 -40.96 76.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.32 176.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.575 ' O ' HG13 ' B' ' 15' ' ' ILE . 78.1 ttt180 -68.84 -42.74 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.518 178.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 8' ' ' SER . 96.6 t -55.23 -46.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.923 0.392 . . . . 0.0 110.481 178.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -65.37 -35.47 81.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.01 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -69.88 -26.14 64.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.004 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.575 HG13 ' O ' ' B' ' 11' ' ' ARG . 79.1 mt -68.64 -47.01 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.547 HG12 ' HA ' ' A' ' 36' ' ' CYS . 52.5 mt -58.94 -44.75 91.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.854 174.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.482 ' HA ' HD12 ' B' ' 20' ' ' LEU . 18.3 tm0? -67.44 -32.06 72.67 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.413 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.55 -35.89 78.04 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 85.3 mt -61.42 -45.65 93.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.605 172.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' B' ' 17' ' ' GLN . 85.5 mt -62.14 -36.95 83.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.661 177.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.449 ' HA ' HG12 ' B' ' 24' ' ' VAL . 26.2 t70 -63.79 -35.91 82.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.737 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 93.3 t -73.32 -37.26 51.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.085 0.469 . . . . 0.0 110.114 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.565 HD22 HG21 ' B' ' 28' ' ' VAL . 90.8 mt -63.12 -39.46 94.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.631 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' B' ' 21' ' ' ASP . 10.4 p -83.73 -25.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.707 0.289 . . . . 0.0 110.38 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -53.7 -47.58 70.35 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.1 0.476 . . . . 0.0 110.487 172.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.51 -10.97 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.406 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 54.11 66.93 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.51 -173.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.565 HG21 HD22 ' B' ' 23' ' ' LEU . 19.8 m -76.94 173.12 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.602 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.52 ' HB ' ' HD2' ' B' ' 30' ' ' PRO . 25.6 p -111.37 166.99 9.73 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.76 176.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.52 ' HD2' ' HB ' ' B' ' 29' ' ' THR . 7.1 Cg_endo -50.35 -49.75 15.54 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.768 2.312 . . . . 0.0 112.419 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.17 -51.22 65.02 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.677 0.751 . . . . 0.0 110.363 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -67.87 -39.21 83.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.827 -173.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.37 -50.18 70.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.182 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -59.45 -44.61 92.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.726 0.298 . . . . 0.0 111.163 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 42.7 ttp -63.96 -38.41 90.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.44 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m -77.09 -47.66 19.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.673 0.273 . . . . 0.0 110.999 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.609 ' O ' HG23 ' B' ' 41' ' ' VAL . 94.8 mt -61.95 -49.62 75.4 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.998 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.84 -31.43 75.85 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.412 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.81 -45.27 78.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.235 0.54 . . . . 0.0 109.7 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.87 95.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.742 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 37' ' ' LEU . 55.7 t -58.03 -49.99 79.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 121.177 0.513 . . . . 0.0 109.83 177.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 32.1 m -63.3 -33.26 75.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.145 -177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -63.47 -48.29 78.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.742 177.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.36 -41.85 93.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.239 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 41' ' ' VAL . 69.6 mt -62.89 -31.39 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.237 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.92 -14.31 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.873 0.368 . . . . 0.0 111.247 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -93.38 -3.03 54.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.554 0.693 . . . . 0.0 110.128 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.515 ' O ' ' HD3' ' B' ' 53' ' ' ARG . 48.6 t -85.53 140.63 36.05 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.578 178.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.86 145.66 90.74 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.091 1.86 . . . . 0.0 112.028 175.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.446 ' CD ' HH21 ' B' ' 53' ' ' ARG . 5.2 tp10 -55.91 -32.45 63.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.379 -170.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 31.0 t -55.65 -47.78 76.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.418 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.433 ' HG3' ' CG1' ' B' ' 48' ' ' VAL . 18.2 ptpt -106.34 -1.8 22.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.357 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ARG . . . . . 0.515 ' HD3' ' O ' ' B' ' 48' ' ' VAL . 24.5 ttp180 -62.0 -37.56 85.3 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.802 0.334 . . . . 0.0 111.525 -175.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.15 -35.39 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.468 0.651 . . . . 0.0 110.016 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.72 -44.95 72.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.565 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.08 -39.05 84.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.449 ' HB ' HD13 ' B' ' 45' ' ' ILE . 7.2 p -70.87 -36.54 64.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.698 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.25 -44.59 71.64 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.57 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -61.58 -37.03 82.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.231 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.59 -54.54 44.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.156 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 41.4 p -63.11 -36.55 83.98 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.254 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -63.06 -49.31 75.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.467 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.67 88.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.147 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -56.19 -54.55 43.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.333 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -56.92 -42.56 80.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.008 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -69.24 -32.91 72.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.344 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.8 m -79.24 -23.32 43.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.71 -177.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.2 t -85.72 -41.07 15.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.907 0.384 . . . . 0.0 110.408 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.99 -56.61 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.261 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -80.83 -60.98 2.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.024 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 40.4 t60 65.6 -70.51 0.09 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.827 -178.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -60.52 101.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.69 0.619 . . . . 0.0 112.248 -172.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 42.6 t60 45.07 82.37 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 O-C-N 124.187 0.929 . . . . 0.0 112.275 174.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -125.89 113.47 17.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.278 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -174.8 126.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.168 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 C--O 1.245 0.823 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.235 179.018 . . . . . . . . 0 0 . 1 stop_ save_